Chemical ID: 3972960

CCCCC1(C2C(C(N1)c3ccc(cc3)c4ccccc4)C(=O)N(C2=O)C(C)(C)C)C(=O)O
Chemical ID:
3972960
Name [?]:
8-butyl-2,4-dioxo-6-(4-phenylphenyl)-3-tert-butyl-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)(C)C)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H32N2O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:4
ZAP Information [?]
Total:11.1645
Area:621.096
Solvation:-4.36292
Coulombic:-62.1274
Bond Count [?]
All:36
Single:27
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:448.554
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.46
LogP (Chemaxon):1.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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