Chemical ID: 3972931

CCCCC1(C2C(C(N1)c3ccc(cc3)Cl)C(=O)N(C2=O)C(C)(C)C)C(=O)O
Chemical ID:
3972931
Name [?]:
8-butyl-6-(4-chlorophenyl)-2,4-dioxo-3-tert-butyl-3,7-diazabicyclo[3.3.0]octane-8-carboxylic acid
SMILES [?]:
CCCCC1(C2C(C(N1)c3ccc(cc3)Cl)C(=O)N(C2=O)C(C)(C)C)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H27ClN2O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:4
ZAP Information [?]
Total:9.88139
Area:551.944
Solvation:-3.9172
Coulombic:-60.9091
Bond Count [?]
All:30
Single:24
Double:6
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:406.903
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.14
LogP (Chemaxon):0.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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