8-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
8-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
8-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | G541-0848 |
| Compound Name: | 8-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 443.95 |
| Molecular Formula: | C22 H22 Cl N3 O3 S |
| Smiles: | Cn1c2c3cc(ccc3SCc2c(C(NCCc2ccc(c(c2)OC)OC)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.2703 |
| logD: | 3.2703 |
| logSw: | -3.7565 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.077 |
| InChI Key: | ZRQOMHMNEDADKZ-UHFFFAOYSA-N |