Chemical ID: 4159255

CCCOc1ccc(cc1)c2csc3c2c(=O)n(cn3)C(C)C(=O)OCc4ccccc4
Chemical ID:
4159255
Name [?]:
benzyl 2-[5-oxo-7-(4-propoxyphenyl)-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl]propanoate
SMILES [?]:
CCCOc1ccc(cc1)c2csc3c2c(=O)n(cn3)C(C)C(=O)OCc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H24N2O4S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:13.0248
Area:696.199
Solvation:-4.38014
Coulombic:-51.4913
Bond Count [?]
All:35
Single:24
Double:11
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:448.535
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.68
LogP (Chemaxon):5.09

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