1-[4-(1-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]-3-(2-chlorophenyl)prop-2-en-1-one
Chemical Structure Depiction of
1-[4-(1-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]-3-(2-chlorophenyl)prop-2-en-1-one
1-[4-(1-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]-3-(2-chlorophenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | F897-0046 |
| Compound Name: | 1-[4-(1-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]-3-(2-chlorophenyl)prop-2-en-1-one |
| Molecular Weight: | 499.03 |
| Molecular Formula: | C25 H27 Cl N4 O3 S |
| Smiles: | Cc1c(c(C)n(Cc2ccccc2)n1)S(N1CCN(CC1)C(/C=C/c1ccccc1[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2149 |
| logD: | 3.2149 |
| logSw: | -3.4275 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.16 |
| InChI Key: | JCQGNPBMTUVOLD-UHFFFAOYSA-N |