N-[2-(4-chlorophenyl)ethyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
N-[2-(4-chlorophenyl)ethyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Compound characteristics
Compound ID: | E213-1360 |
Compound Name: | N-[2-(4-chlorophenyl)ethyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide |
Molecular Weight: | 345.85 |
Molecular Formula: | C18 H16 Cl N O2 S |
Smiles: | C1CSc2c(cccc2C(NCCc2ccc(cc2)[Cl])=O)C1=O |
Stereo: | ACHIRAL |
logP: | 3.5228 |
logD: | 3.5228 |
logSw: | -4.1095 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 37.662 |
InChI Key: | YRSZUKFUQZBYBB-UHFFFAOYSA-N |