Chemical ID: 3972677

CC(C)C1(C2C(C(N1)c3ccc(cc3)C(=O)OC)C(=O)N(C2=O)Cc4ccccc4)C(=O)O
Chemical ID:
3972677
Name [?]:
3-benzyl-8-isopropyl-6-(4-methoxycarbonylphenyl)-2,4-dioxo-3,7-diazabicyclo[3.3.0]octane-8-carboxylic acid
SMILES [?]:
CC(C)C1(C2C(C(N1)c3ccc(cc3)C(=O)OC)C(=O)N(C2=O)Cc4ccccc4)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H26N2O6
All Atoms:33
Heavy Atoms:33
Chiral Atoms:4
ZAP Information [?]
Total:10.2882
Area:616.765
Solvation:-5.13096
Coulombic:-81.0665
Bond Count [?]
All:36
Single:26
Double:10
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:450.484
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:2.03
LogP (Chemaxon):0.14

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue