4-[3-{4-[(methanesulfonyl)amino]phenyl}-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[3-{4-[(methanesulfonyl)amino]phenyl}-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
4-[3-{4-[(methanesulfonyl)amino]phenyl}-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | C327-0067 |
| Compound Name: | 4-[3-{4-[(methanesulfonyl)amino]phenyl}-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid |
| Molecular Weight: | 460.46 |
| Molecular Formula: | C20 H20 N4 O7 S |
| Smiles: | CS(Nc1ccc(cc1)C1CC(c2cccc(c2)[N+]([O-])=O)N(C(CCC(O)=O)=O)N=1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7938 |
| logD: | -1.1556 |
| logSw: | -2.5274 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 130.491 |
| InChI Key: | DXEPCBJHSSSJTO-GOSISDBHSA-N |