N-{1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl}-2-(4-methoxybenzamido)benzamide
Chemical Structure Depiction of
N-{1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl}-2-(4-methoxybenzamido)benzamide
N-{1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl}-2-(4-methoxybenzamido)benzamide
Compound characteristics
| Compound ID: | 5169-0348 |
| Compound Name: | N-{1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl}-2-(4-methoxybenzamido)benzamide |
| Molecular Weight: | 587.7 |
| Molecular Formula: | C31 H33 N5 O5 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(C(CCSC)NC(c1ccccc1NC(c1ccc(cc1)OC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1442 |
| logD: | 3.0892 |
| logSw: | -3.6802 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.963 |
| InChI Key: | IRQCCACXUVJRJB-SANMLTNESA-N |