N-[(2-methoxyphenyl)methyl]-1-oxo-1H-2-benzothiopyran-3-carboxamide
Chemical Structure Depiction of
N-[(2-methoxyphenyl)methyl]-1-oxo-1H-2-benzothiopyran-3-carboxamide
N-[(2-methoxyphenyl)methyl]-1-oxo-1H-2-benzothiopyran-3-carboxamide
Compound characteristics
| Compound ID: | D443-2518 |
| Compound Name: | N-[(2-methoxyphenyl)methyl]-1-oxo-1H-2-benzothiopyran-3-carboxamide |
| Molecular Weight: | 325.38 |
| Molecular Formula: | C18 H15 N O3 S |
| Smiles: | COc1ccccc1CNC(C1=Cc2ccccc2C(=O)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.501 |
| logD: | 3.501 |
| logSw: | -3.7978 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.275 |
| InChI Key: | JDMUARHPBBQMPX-UHFFFAOYSA-N |