Chemical ID: 6642378

c1ccc(cc1)C(=O)CC2=C3C(NN(C3=O)c4ccccc4)N=C2CC(=O)c5ccccc5
Chemical ID:
6642378
Name [?]:
7,8-diphenacyl-3-phenyl-3,4,6-triazabicyclo[3.3.0]octa-6,8-dien-2-one
SMILES [?]:
c1ccc(cc1)C(=O)CC2=C3C(NN(C3=O)c4ccccc4)N=C2CC(=O)c5ccccc5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H21N3O3
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:10.8649
Area:676.614
Solvation:-6.05046
Coulombic:-42.0126
Bond Count [?]
All:37
Single:23
Double:14
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:435.474
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.47
LogP (Chemaxon):4.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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