4-[3-{3-[(methanesulfonyl)amino]phenyl}-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[3-{3-[(methanesulfonyl)amino]phenyl}-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
4-[3-{3-[(methanesulfonyl)amino]phenyl}-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | C327-0260 |
| Compound Name: | 4-[3-{3-[(methanesulfonyl)amino]phenyl}-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid |
| Molecular Weight: | 421.49 |
| Molecular Formula: | C18 H19 N3 O5 S2 |
| Smiles: | CS(Nc1cccc(c1)C1CC(c2cccs2)N(C(CCC(O)=O)=O)N=1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.809 |
| logD: | -1.1404 |
| logSw: | -2.5 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.128 |
| InChI Key: | JKNHIEAHHYORFM-OAHLLOKOSA-N |