{4-[(3-chlorophenyl)methyl]piperazin-1-yl}[1-(propan-2-yl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]methanone
Chemical Structure Depiction of
{4-[(3-chlorophenyl)methyl]piperazin-1-yl}[1-(propan-2-yl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]methanone
{4-[(3-chlorophenyl)methyl]piperazin-1-yl}[1-(propan-2-yl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]methanone
Compound characteristics
| Compound ID: | S397-0647 |
| Compound Name: | {4-[(3-chlorophenyl)methyl]piperazin-1-yl}[1-(propan-2-yl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]methanone |
| Molecular Weight: | 402.92 |
| Molecular Formula: | C21 H27 Cl N4 O2 |
| Smiles: | CC(C)n1c2CCOCc2c(C(N2CCN(CC2)Cc2cccc(c2)[Cl])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.4002 |
| logD: | 2.3935 |
| logSw: | -3.0623 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.954 |
| InChI Key: | XRRMTWATLPCZFT-UHFFFAOYSA-N |