2-[3-(2,5-dimethylphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-thiazole--hydrogen bromide (1/1)
Chemical Structure Depiction of
2-[3-(2,5-dimethylphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-thiazole--hydrogen bromide (1/1)
2-[3-(2,5-dimethylphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-thiazole--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8006-6585 |
| Compound Name: | 2-[3-(2,5-dimethylphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-thiazole--hydrogen bromide (1/1) |
| Molecular Weight: | 668.63 |
| Molecular Formula: | C30 H29 N5 O4 S2 |
| Salt: | HBr |
| Smiles: | Cc1ccc(C)c(c1)C1CC(c2cccc(c2)[N+]([O-])=O)N(c2nc(cs2)c2ccc(cc2)S(N2CCCC2)(=O)=O)N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.7093 |
| logD: | 7.7092 |
| logSw: | -5.7863 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.926 |
| InChI Key: | FWKDCNDSFUVKCN-LJAQVGFWSA-N |