Chemical ID: 4611306

Cc1ccn2c(c1)nc(c2NC(=O)c3cccc(c3)OC)c4ccccc4
Chemical ID:
4611306
Name [?]:
3-methoxy-N-(4-methyl-8-phenyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl)-benzamide
SMILES [?]:
Cc1ccn2c(c1)nc(c2NC(=O)c3cccc(c3)OC)c4ccccc4
InChi [?]:
InChI=1/C22H19N3O2/c1-15-11-12-25-19(13-15)23-20(16-7-4-3-5-8-16)21(25)24-22(26)17-9-6-10-18(14-17)27-2/h3-14H,1-2H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,21,25,24,26,16,23,27,15,17,3,4,7,19,2,22,14,18,6,9,10,12,8,11,5,13,20/E:(4,5)(7,8)/rA:27nCCCCNCCNCCNCOCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s20;s9;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H19N3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.1257
Area:570.437
Solvation:-4.13519
Coulombic:-41.9201
Bond Count [?]
All:30
Single:19
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:357.405
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.68
LogP (Chemaxon):4.64

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