Chemical ID: 5245928

c1ccc(cc1)C=CC(=O)CC2=C3C(NN(C3=O)c4ccccc4)N=C2CC(=O)C=Cc5ccccc5
Chemical ID:
5245928
Name [?]:
7,8-bis(2-oxo-4-phenyl-but-3-enyl)-3-phenyl-3,4,6-triazabicyclo[3.3.0]octa-6,8-dien-2-one
SMILES [?]:
c1ccc(cc1)C=CC(=O)CC2=C3C(NN(C3=O)c4ccccc4)N=C2CC(=O)C=Cc5ccccc5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C31H25N3O3
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:10.9602
Area:727.735
Solvation:-7.2332
Coulombic:-40.7719
Bond Count [?]
All:41
Single:25
Double:16
Rotors:9
Chiral:2
Rigid Segments:8
Chemical Properties
Molecular Weight:487.549
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.01
LogP (Chemaxon):6.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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