5-[3-{3-[(methanesulfonyl)amino]phenyl}-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid
Chemical Structure Depiction of
5-[3-{3-[(methanesulfonyl)amino]phenyl}-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid
5-[3-{3-[(methanesulfonyl)amino]phenyl}-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid
Compound characteristics
| Compound ID: | C327-0204 |
| Compound Name: | 5-[3-{3-[(methanesulfonyl)amino]phenyl}-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid |
| Molecular Weight: | 474.49 |
| Molecular Formula: | C21 H22 N4 O7 S |
| Smiles: | CS(Nc1cccc(c1)C1CC(c2cccc(c2)[N+]([O-])=O)N(C(CCCC(O)=O)=O)N=1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1889 |
| logD: | -0.4083 |
| logSw: | -2.7777 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 130.491 |
| InChI Key: | DXGNUBHSAHNZBX-LJQANCHMSA-N |