N-(4-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazine-1-sulfonyl}phenyl)acetamide
Chemical Structure Depiction of
N-(4-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazine-1-sulfonyl}phenyl)acetamide
N-(4-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazine-1-sulfonyl}phenyl)acetamide
Compound characteristics
| Compound ID: | 4299-1908 |
| Compound Name: | N-(4-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazine-1-sulfonyl}phenyl)acetamide |
| Molecular Weight: | 498.56 |
| Molecular Formula: | C23 H26 N6 O5 S |
| Smiles: | CC(Nc1ccc(cc1)S(N1CCN(CC1)c1ccc(c(c1)n1c(C)cc(C)n1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1413 |
| logD: | 2.141 |
| logSw: | -2.9299 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.123 |
| InChI Key: | VDTDFFNIYOIPTH-UHFFFAOYSA-N |