Chemical ID: 6240300

Cc1ccn2c(c1)nc(c2NC(=O)c3ccc(cc3)OC)c4ccc(cc4)F
Chemical ID:
6240300
Name [?]:
N-[8-(4-fluorophenyl)-4-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl]-4-methoxy-benzamide
SMILES [?]:
Cc1ccn2c(c1)nc(c2NC(=O)c3ccc(cc3)OC)c4ccc(cc4)F
InChi [?]:
InChI=1/C22H18FN3O2/c1-14-11-12-26-19(13-14)24-20(15-3-7-17(23)8-4-15)21(26)25-22(27)16-5-9-18(28-2)10-6-16/h3-13H,1-2H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,21,23,27,15,19,24,26,16,18,3,4,7,2,22,14,25,17,6,9,10,12,28,8,11,5,13,20/E:(3,4)(5,6)(7,8)(9,10)/rA:28nCCCCNCCNCCNCOCCCCCCOCCCCCCCF/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;s9;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18FN3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.56293
Area:577.415
Solvation:-4.87244
Coulombic:-44.893
Bond Count [?]
All:31
Single:20
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:375.396
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.84
LogP (Chemaxon):4.78

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