N-[2-(2,4-dimethoxyphenyl)ethyl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[2-(2,4-dimethoxyphenyl)ethyl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-[2-(2,4-dimethoxyphenyl)ethyl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E146-1694 |
| Compound Name: | N-[2-(2,4-dimethoxyphenyl)ethyl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C22 H23 N3 O3 S |
| Smiles: | Cn1c2c3ccccc3SCc2c(C(NCCc2ccc(cc2OC)OC)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.1785 |
| logD: | 3.1785 |
| logSw: | -3.6897 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.99 |
| InChI Key: | DJEFQIISQSFOQS-UHFFFAOYSA-N |