N-(4-chlorophenyl)-1-oxo-1H-2-benzothiopyran-3-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-1-oxo-1H-2-benzothiopyran-3-carboxamide
N-(4-chlorophenyl)-1-oxo-1H-2-benzothiopyran-3-carboxamide
Compound characteristics
| Compound ID: | D443-2395 |
| Compound Name: | N-(4-chlorophenyl)-1-oxo-1H-2-benzothiopyran-3-carboxamide |
| Molecular Weight: | 315.78 |
| Molecular Formula: | C16 H10 Cl N O2 S |
| Smiles: | C1=C(C(Nc2ccc(cc2)[Cl])=O)SC(c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2016 |
| logD: | 4.201 |
| logSw: | -4.7603 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.323 |
| InChI Key: | ZDEIFUOJXDLWAX-UHFFFAOYSA-N |