Chemical ID: 7966532

Cc1ccc2c(c1)c(c(c(=O)o2)c3ccc(cc3)Cl)c4ccn5c(n4)cc(n5)c6ccc(cc6)OC
Chemical ID:
7966532
Name [?]:
3-(4-chlorophenyl)-4-[8-(4-methoxyphenyl)-1,5,9-triazabicyclo[4.3.0]nona-2,4,6,8-tetraen-4-yl]-6-methyl-chromen-2-one
SMILES [?]:
Cc1ccc2c(c1)c(c(c(=O)o2)c3ccc(cc3)Cl)c4ccn5c(n4)cc(n5)c6ccc(cc6)OC
InChi [?]:
InChI=1/C29H20ClN3O3/c1-17-3-12-25-22(15-17)28(27(29(34)36-25)19-4-8-20(30)9-5-19)23-13-14-33-26(31-23)16-24(32-33)18-6-10-21(35-2)11-7-18/h3-16H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,36,3,14,18,30,34,15,17,31,33,4,21,22,7,26,2,29,13,16,32,6,20,27,5,24,9,8,10,19,25,28,23,11,35,12/E:(4,5)(6,7)(8,9)(10,11)/rA:36nCCCCCCCCCCOOCCCCCCClCCCNCNCCNCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;d10;s5s10;s9;s13;d14;s15;d16;d13s17;s16;s8;s20;d21;s22;s23;d20s24;d24;s26;s23d27;s27;s29;d30;s31;d32;d29s33;s32;s35;/rC:-.5773,1.4693,.0353;-.3679,-.023,.0199;-.2142,-.6869,-1.1885;-.0218,-2.0516,-1.2204;.0201,-2.7778,-.0353;-.1353,-2.1066,1.1874;-.3242,-.7216,1.2054;-.0918,-2.8707,2.4456;.1048,-4.2478,2.3661;.2569,-4.86,1.0439;.4294,-6.0616,.955;.2091,-4.1144,-.07;.1592,-5.0744,3.5913;1.2144,-4.9227,4.4926;1.2595,-5.6961,5.6337;.2609,-6.6219,5.886;-.7882,-6.7772,4.9954;-.8475,-6.0052,3.8539;.3248,-7.5921,7.3242;-.251,-2.1983,3.7506;-1.1954,-2.6837,4.6856;-1.3298,-2.0581,5.8766;-.5496,-.9695,6.1517;.3584,-.5232,5.2218;.4931,-1.1461,4.0472;.9963,.5817,5.7727;.4575,.7893,7.0434;-.4627,-.1329,7.2708;.8521,1.867,7.9842;1.8364,2.7845,7.6214;2.2011,3.785,8.4977;1.5891,3.8785,9.7403;.6083,2.9659,10.1044;.2351,1.9671,9.2297;1.9511,4.8647,10.602;1.1554,4.699,11.7773;

Chemical Details

Atom Count
Formula:C10H21NO
All Atoms:56
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:13.0674
Area:710.962
Solvation:-4.70664
Coulombic:-39.1131
Bond Count [?]
All:61
Single:46
Double:15
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:493.94
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:6.53
LogP (Chemaxon):7.57

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