Chemical ID: 7429533

Cc1ccc(cc1)C2CC(=O)Nc3c2c(n[nH]3)c4ccccc4
Chemical ID:
7429533
Name [?]:
7-phenyl-5-(p-tolyl)-2,8,9-triazabicyclo[4.3.0]nona-7,10-dien-3-one
SMILES [?]:
Cc1ccc(cc1)C2CC(=O)Nc3c2c(n[nH]3)c4ccccc4
InChi [?]:
InChI=1/C19H17N3O/c1-12-7-9-13(10-8-12)15-11-16(23)20-19-17(15)18(21-22-19)14-5-3-2-4-6-14/h2-10,15H,11H2,1H3,(H2,20,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,19,23,3,7,4,6,9,2,5,18,8,10,14,15,13,12,16,17,11/E:(3,4)(5,6)(7,8)(9,10)/rA:23cCCCCCCCCCCONCCCNNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s8d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17N3O
All Atoms:40
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:8.44011
Area:449.163
Solvation:-2.78896
Coulombic:-31.5562
Bond Count [?]
All:26
Single:17
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:303.358
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.92
LogP (Chemaxon):3.94

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Descriptor Annotations

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