1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-(4-methylbenzene-1-sulfonyl)piperazine
Chemical Structure Depiction of
1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-(4-methylbenzene-1-sulfonyl)piperazine
1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-(4-methylbenzene-1-sulfonyl)piperazine
Compound characteristics
| Compound ID: | 3953-1434 |
| Compound Name: | 1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-(4-methylbenzene-1-sulfonyl)piperazine |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C22 H25 N5 O4 S |
| Smiles: | Cc1ccc(cc1)S(N1CCN(CC1)c1ccc(c(c1)n1c(C)cc(C)n1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3635 |
| logD: | 3.3635 |
| logSw: | -3.8433 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.861 |
| InChI Key: | JAEOYBIVTRDLDJ-UHFFFAOYSA-N |