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Chemical ID: 7963791

Cc1ccc(cc1)c2cc(cc(n2)c3ccc4c(c3)N(C(=O)CO4)CC(=O)NN)c5ccc(cc5)F

Chemical ID:

7963791

Name [?]:

2-[8-[4-(4-fluorophenyl)-6-(p-tolyl)-2-pyridyl]-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl]acetohydrazide

SMILES [?]:

Cc1ccc(cc1)c2cc(cc(n2)c3ccc4c(c3)N(C(=O)CO4)CC(=O)NN)c5ccc(cc5)F

InChi [?]:

InChI=1/C28H23FN4O3/c1-17-2-4-19(5-3-17)23-12-21(18-6-9-22(29)10-7-18)13-24(31-23)20-8-11-26-25(14-20)33(15-27(34)32-30)28(35)16-36-26/h2-14H,15-16,30H2,1H3,(H,32,34)

InChi Info:

AuxInfo=1/1/N:1,3,7,4,6,31,35,15,32,34,16,9,11,19,25,23,2,30,5,14,10,33,8,12,18,17,26,21,36,29,13,28,20,27,22,24/E:(2,3)(4,5)(6,7)(9,10)/rA:36nCCCCCCCCCCCCNCCCCCCNCOCOCCONNCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;d8s12;s12;s14;d15;s16;d17;d14s18;s18;s20;d21;s21;s17s23;s20;s25;d26;s26;s28;s10;s30;d31;s32;d33;d30s34;s33;/rC:-.0184,1.5028,.0103;.0021,-.0041,.002;.0057,-.6865,-1.2012;.0244,-2.0665,-1.2147;.0401,-2.7723,-.0132;.0368,-2.0796,1.1959;.0229,-.6995,1.1976;.0597,-4.2558,-.0214;.0695,-4.9497,1.1846;.088,-6.3461,1.1656;.0959,-6.9929,-.0721;.0852,-6.2295,-1.2356;.0623,-4.9045,-1.1779;.0935,-6.9054,-2.5556;.1061,-8.2976,-2.629;.1189,-8.9285,-3.855;.1166,-8.1819,-5.0268;.0955,-6.7899,-4.9538;.0829,-6.1512,-3.7285;.0675,-6.0433,-6.145;-.3415,-6.6973,-7.2612;-.3951,-6.1309,-8.3324;-.727,-8.1493,-7.1307;.143,-8.8153,-6.2243;.4592,-4.632,-6.179;1.9361,-4.5273,-6.4598;2.5964,-5.5325,-6.6162;2.5232,-3.3166,-6.5372;3.8619,-3.2216,-6.7918;.0994,-7.1232,2.4294;.1236,-8.5162,2.3929;.1347,-9.2349,3.5705;.1212,-8.5738,4.7882;.0966,-7.189,4.829;.0917,-6.4623,3.6563;.1316,-9.2815,5.9389;

Chemical Details

Atom Count

Formula:	C₁₆H₁₉NO
All Atoms:	59
Heavy Atoms:	36
Chiral Atoms:	0

ZAP Information [?]

Total:	10.6965
Area:	715.003
Solvation:	-7.17858
Coulombic:	-61.4572

Bond Count [?]

All:	63
Single:	49
Double:	14
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	482.506
H-Bond Donors:	3
H-Bond Acceptors:	7
XLogP:	4.31
LogP (Chemaxon):	4.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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