{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}[1-(4-methylbenzene-1-sulfonyl)pyrrolidin-2-yl]methanone
Chemical Structure Depiction of
{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}[1-(4-methylbenzene-1-sulfonyl)pyrrolidin-2-yl]methanone
{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}[1-(4-methylbenzene-1-sulfonyl)pyrrolidin-2-yl]methanone
Compound characteristics
| Compound ID: | 5795-0091 |
| Compound Name: | {3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}[1-(4-methylbenzene-1-sulfonyl)pyrrolidin-2-yl]methanone |
| Molecular Weight: | 500.59 |
| Molecular Formula: | C23 H24 N4 O5 S2 |
| Smiles: | Cc1ccc(cc1)S(N1CCCC1C(n1c(C)c(c(C)n1)Sc1ccc(cc1)[N+]([O-])=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5805 |
| logD: | 3.5805 |
| logSw: | -3.7538 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 93.51 |
| InChI Key: | HURFIPPPBXEAQK-NRFANRHFSA-N |