4-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Chemical Structure Depiction of
4-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
4-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Compound characteristics
| Compound ID: | G777-0300 |
| Compound Name: | 4-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide |
| Molecular Weight: | 311.4 |
| Molecular Formula: | C18 H17 N O2 S |
| Smiles: | C1CSc2c(cccc2C(NCCc2ccccc2)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.9281 |
| logD: | 2.9281 |
| logSw: | -3.7425 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.662 |
| InChI Key: | MPVVHCHAJDITJV-UHFFFAOYSA-N |