N-{2-[benzyl(methyl)amino]ethyl}-1,8-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-{2-[benzyl(methyl)amino]ethyl}-1,8-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-{2-[benzyl(methyl)amino]ethyl}-1,8-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | G541-0590 |
| Compound Name: | N-{2-[benzyl(methyl)amino]ethyl}-1,8-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 406.55 |
| Molecular Formula: | C23 H26 N4 O S |
| Smiles: | Cc1ccc2c(c1)c1c(CS2)c(C(NCCN(C)Cc2ccccc2)=O)nn1C |
| Stereo: | ACHIRAL |
| logP: | 3.25 |
| logD: | 2.8841 |
| logSw: | -3.6378 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.91 |
| InChI Key: | YKRVMLAFEIHYGZ-UHFFFAOYSA-N |