N-(3-chloro-4-fluorophenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
N-(3-chloro-4-fluorophenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Compound characteristics
| Compound ID: | E213-1231 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide |
| Molecular Weight: | 335.78 |
| Molecular Formula: | C16 H11 Cl F N O2 S |
| Smiles: | C1CSc2c(cccc2C(Nc2ccc(c(c2)[Cl])F)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.761 |
| logD: | 3.3684 |
| logSw: | -4.3529 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.498 |
| InChI Key: | XNUMDPSUOSSKNY-UHFFFAOYSA-N |