N-[2-(4-chlorophenyl)ethyl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-[2-(4-chlorophenyl)ethyl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E146-1559 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 383.9 |
| Molecular Formula: | C20 H18 Cl N3 O S |
| Smiles: | Cn1c2c3ccccc3SCc2c(C(NCCc2ccc(cc2)[Cl])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.4892 |
| logD: | 3.4892 |
| logSw: | -4.1497 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.816 |
| InChI Key: | NYVFBAYHKVSYTE-UHFFFAOYSA-N |