N-(5-chloro-2,4-dimethoxyphenyl)-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-(5-chloro-2,4-dimethoxyphenyl)-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E146-1440 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 415.9 |
| Molecular Formula: | C20 H18 Cl N3 O3 S |
| Smiles: | Cn1c2c3ccccc3SCc2c(C(Nc2cc(c(cc2OC)OC)[Cl])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.8667 |
| logD: | 3.7943 |
| logSw: | -4.2566 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.216 |
| InChI Key: | ZYIFKLHMIQXWMI-UHFFFAOYSA-N |