Chemical ID: 3972918

CCCCN1C(=O)C2C(NC(C2C1=O)(CC(C)C)C(=O)O)c3ccc(cc3)c4ccccc4
Chemical ID:
3972918
Name [?]:
7-butyl-4-isobutyl-6,8-dioxo-2-(4-phenylphenyl)-3,7-diazabicyclo[3.3.0]octane-4-carboxylic acid
SMILES [?]:
CCCCN1C(=O)C2C(NC(C2C1=O)(CC(C)C)C(=O)O)c3ccc(cc3)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H32N2O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:4
ZAP Information [?]
Total:12.5905
Area:672.571
Solvation:-4.22379
Coulombic:-62.6777
Bond Count [?]
All:36
Single:27
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:448.554
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.45
LogP (Chemaxon):2.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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