Chemical ID: 5575151

Cc1cccn2c1nc(c2NC(=O)c3ccccc3OC)c4ccccc4
Chemical ID:
5575151
Name [?]:
2-methoxy-N-(5-methyl-8-phenyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl)-benzamide
SMILES [?]:
Cc1cccn2c1nc(c2NC(=O)c3ccccc3OC)c4ccccc4
InChi [?]:
InChI=1/C22H19N3O2/c1-15-9-8-14-25-20(15)23-19(16-10-4-3-5-11-16)21(25)24-22(26)17-12-6-7-13-18(17)27-2/h3-14H,1-2H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,21,25,24,26,16,17,4,3,23,27,15,18,5,2,22,14,19,9,7,10,12,8,11,6,13,20/E:(4,5)(10,11)/rA:27nCCCCCNCNCCNCOCCCCCCOCCCCCCC/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;s6d9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;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:9.24387
Area:559.221
Solvation:-4.73666
Coulombic:-41.47
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:4.46
LogP (Chemaxon):4.64

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