N-[(2,5-dimethoxyphenyl)methyl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[(2,5-dimethoxyphenyl)methyl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-[(2,5-dimethoxyphenyl)methyl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E146-1605 |
| Compound Name: | N-[(2,5-dimethoxyphenyl)methyl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C21 H21 N3 O3 S |
| Smiles: | Cn1c2c3ccccc3SCc2c(C(NCc2cc(ccc2OC)OC)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.161 |
| logD: | 3.161 |
| logSw: | -3.6813 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.149 |
| InChI Key: | ZAGJEDHNPYKKIZ-UHFFFAOYSA-N |