Chemical ID: 3972913

CC(C)CC1(C2C(C(N1)c3ccc(cc3)Cl)C(=O)N(C2=O)C(C)(C)C)C(=O)O
Chemical ID:
3972913
Name [?]:
6-(4-chlorophenyl)-8-isobutyl-2,4-dioxo-3-tert-butyl-3,7-diazabicyclo[3.3.0]octane-8-carboxylic acid
SMILES [?]:
CC(C)CC1(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:9.56456
Area:536.812
Solvation:-3.85574
Coulombic:-60.8755
Bond Count [?]
All:30
Single:24
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:406.903
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.08
LogP (Chemaxon):0.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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