N-{2-[4-(1-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]-2-oxoethyl}-4-methylbenzamide
Chemical Structure Depiction of
N-{2-[4-(1-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]-2-oxoethyl}-4-methylbenzamide
N-{2-[4-(1-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]-2-oxoethyl}-4-methylbenzamide
Compound characteristics
| Compound ID: | F897-0778 |
| Compound Name: | N-{2-[4-(1-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]-2-oxoethyl}-4-methylbenzamide |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C21 H29 N5 O4 S |
| Smiles: | CCn1c(C)c(c(C)n1)S(N1CCN(CC1)C(CNC(c1ccc(C)cc1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7412 |
| logD: | 0.7412 |
| logSw: | -2.2579 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.841 |
| InChI Key: | WWUSGFQEEIRHAB-UHFFFAOYSA-N |