2-(4-chlorophenyl)-1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(4-chlorophenyl)-1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}ethan-1-one
2-(4-chlorophenyl)-1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | F897-0996 |
| Compound Name: | 2-(4-chlorophenyl)-1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 438.98 |
| Molecular Formula: | C20 H27 Cl N4 O3 S |
| Smiles: | CC(C)n1c(C)c(c(C)n1)S(N1CCN(CC1)C(Cc1ccc(cc1)[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2807 |
| logD: | 2.2807 |
| logSw: | -2.9263 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.9 |
| InChI Key: | GCAHAPCQROCISP-UHFFFAOYSA-N |