Chemical ID: 4357023

Cc1ccc(cc1)c2c(n3ccccc3n2)NC(=O)c4ccccc4
Chemical ID:
4357023
Name [?]:
N-[8-(p-tolyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl]benzamide
SMILES [?]:
Cc1ccc(cc1)c2c(n3ccccc3n2)NC(=O)c4ccccc4
InChi [?]:
InChI=1/C21H17N3O/c1-15-10-12-16(13-11-15)19-20(24-14-6-5-9-18(24)22-19)23-21(25)17-7-3-2-4-8-17/h2-14H,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,13,12,21,25,14,3,7,4,6,11,2,5,20,15,8,9,18,16,17,10,19/E:(3,4)(7,8)(10,11)(12,13)/rA:25nCCCCCCCCCNCCCCCNNCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;d11;s12;d13;s10s14;s8d15;s9;s17;d18;s18;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17N3O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.5921
Area:529.798
Solvation:-2.65283
Coulombic:-36.0076
Bond Count [?]
All:28
Single:17
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:327.379
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.84
LogP (Chemaxon):4.89

Name Annotations

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Descriptor Annotations

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