N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E146-1588 |
| Compound Name: | N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 465.59 |
| Molecular Formula: | C25 H28 F N5 O S |
| Smiles: | Cn1c2c3ccccc3SCc2c(C(NCCCN2CCN(CC2)c2ccc(cc2)F)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.0376 |
| logD: | 2.4937 |
| logSw: | -3.6459 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.059 |
| InChI Key: | CIHFARWUIIWGFS-UHFFFAOYSA-N |