1-(4-{2-[3-(2,5-dimethylphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzene-1-sulfonyl)piperidine
Chemical Structure Depiction of
1-(4-{2-[3-(2,5-dimethylphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzene-1-sulfonyl)piperidine
1-(4-{2-[3-(2,5-dimethylphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzene-1-sulfonyl)piperidine
Compound characteristics
| Compound ID: | 8006-4313 |
| Compound Name: | 1-(4-{2-[3-(2,5-dimethylphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzene-1-sulfonyl)piperidine |
| Molecular Weight: | 682.66 |
| Molecular Formula: | C31 H31 N5 O4 S2 |
| Salt: | HBr |
| Smiles: | Cc1ccc(C)c(c1)C1CC(c2cccc(c2)[N+]([O-])=O)N(c2nc(cs2)c2ccc(cc2)S(N2CCCCC2)(=O)=O)N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.0398 |
| logD: | 8.0398 |
| logSw: | -5.7012 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.56 |
| InChI Key: | UFVIHOHSUQULRF-PMERELPUSA-N |