1,8-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
1,8-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
1,8-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | G541-0684 |
| Compound Name: | 1,8-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 461.63 |
| Molecular Formula: | C26 H31 N5 O S |
| Smiles: | Cc1ccc2c(c1)c1c(CS2)c(C(NCCCN2CCN(CC2)c2ccccc2)=O)nn1C |
| Stereo: | ACHIRAL |
| logP: | 3.4714 |
| logD: | 2.9275 |
| logSw: | -3.8373 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.059 |
| InChI Key: | IWAAIOPGFGXYOQ-UHFFFAOYSA-N |