N-(3-chloro-4-fluorophenyl)-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-(3-chloro-4-fluorophenyl)-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E146-1430 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 373.83 |
| Molecular Formula: | C18 H13 Cl F N3 O S |
| Smiles: | Cn1c2c3ccccc3SCc2c(C(Nc2ccc(c(c2)[Cl])F)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.0998 |
| logD: | 4.0232 |
| logSw: | -4.4382 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.653 |
| InChI Key: | BJDKTHDYPIFYGC-UHFFFAOYSA-N |