Chemical ID: 3972670

CCCCC1(C2C(C(N1)c3ccc(cc3)c4ccccc4)C(=O)N(C2=O)C)C(=O)O
Chemical ID:
3972670
Name [?]:
8-butyl-3-methyl-2,4-dioxo-6-(4-phenylphenyl)-3,7-diazabicyclo[3.3.0]octane-8-carboxylic acid
SMILES [?]:
CCCCC1(C2C(C(N1)c3ccc(cc3)c4ccccc4)C(=O)N(C2=O)C)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H26N2O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:4
ZAP Information [?]
Total:10.0496
Area:587.203
Solvation:-4.63053
Coulombic:-61.4378
Bond Count [?]
All:33
Single:24
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:406.474
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.16
LogP (Chemaxon):0.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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