N-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
N-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Compound characteristics
Compound ID: | E213-1399 |
Compound Name: | N-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide |
Molecular Weight: | 311.4 |
Molecular Formula: | C18 H17 N O2 S |
Smiles: | Cc1ccc(CNC(c2cccc3C(CCSc23)=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 3.4179 |
logD: | 3.4179 |
logSw: | -3.8181 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 37.82 |
InChI Key: | GKWRXCUGYMOVTC-UHFFFAOYSA-N |