8-chloro-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
8-chloro-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
8-chloro-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | G541-1176 |
| Compound Name: | 8-chloro-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 488.09 |
| Molecular Formula: | C25 H34 Cl N5 O S |
| Smiles: | Cn1c2c3cc(ccc3SCc2c(C(NCCCN2CCN(CC2)C2CCCCC2)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.7675 |
| logD: | 2.8572 |
| logSw: | -4.2349 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.892 |
| InChI Key: | JFNCXOFZVHXJPE-UHFFFAOYSA-N |