1-methyl-N-(2-phenylethyl)-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
1-methyl-N-(2-phenylethyl)-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
1-methyl-N-(2-phenylethyl)-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | C660-0479 |
| Compound Name: | 1-methyl-N-(2-phenylethyl)-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 349.45 |
| Molecular Formula: | C20 H19 N3 O S |
| Smiles: | Cn1c2c3ccccc3SCc2c(C(NCCc2ccccc2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.8945 |
| logD: | 2.8945 |
| logSw: | -3.7246 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.816 |
| InChI Key: | YBTJVMOGSXCHFW-UHFFFAOYSA-N |