N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N~2~-(4-methylphenyl)-N~2~-[4-(methylsulfanyl)benzene-1-sulfonyl]glycinamide
Chemical Structure Depiction of
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N~2~-(4-methylphenyl)-N~2~-[4-(methylsulfanyl)benzene-1-sulfonyl]glycinamide
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N~2~-(4-methylphenyl)-N~2~-[4-(methylsulfanyl)benzene-1-sulfonyl]glycinamide
Compound characteristics
| Compound ID: | 5261-1255 |
| Compound Name: | N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N~2~-(4-methylphenyl)-N~2~-[4-(methylsulfanyl)benzene-1-sulfonyl]glycinamide |
| Molecular Weight: | 536.67 |
| Molecular Formula: | C27 H28 N4 O4 S2 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(CN(c1ccc(C)cc1)S(c1ccc(cc1)SC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7708 |
| logD: | 3.7297 |
| logSw: | -3.8649 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.323 |
| InChI Key: | HAWLEOCVIHOJJT-UHFFFAOYSA-N |