Chemical ID: 3981924

CCC(C)C1(C2C(C(N1)c3cc(ccc3OC)Br)C(=O)N(C2=O)C(C)(C)C)C(=O)O
Chemical ID:
3981924
Name [?]:
6-(5-bromo-2-methoxy-phenyl)-2,4-dioxo-8-sec-butyl-3-tert-butyl-3,7-diazabicyclo[3.3.0]octane-8-carboxylic acid
SMILES [?]:
CCC(C)C1(C2C(C(N1)c3cc(ccc3OC)Br)C(=O)N(C2=O)C(C)(C)C)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H29BrN2O5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:5
ZAP Information [?]
Total:9.14202
Area:554.064
Solvation:-4.70958
Coulombic:-67.0813
Bond Count [?]
All:32
Single:26
Double:6
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:481.38
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.96
LogP (Chemaxon):0.59

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