N-(2-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}-2-oxoethyl)-4-methylbenzamide
Chemical Structure Depiction of
N-(2-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}-2-oxoethyl)-4-methylbenzamide
N-(2-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}-2-oxoethyl)-4-methylbenzamide
Compound characteristics
| Compound ID: | F897-0944 |
| Compound Name: | N-(2-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}-2-oxoethyl)-4-methylbenzamide |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C22 H31 N5 O4 S |
| Smiles: | CC(C)n1c(C)c(c(C)n1)S(N1CCN(CC1)C(CNC(c1ccc(C)cc1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3347 |
| logD: | 1.3347 |
| logSw: | -2.2877 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.585 |
| InChI Key: | JMIRJDWNBMDRHR-UHFFFAOYSA-N |