2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
Chemical Structure Depiction of
2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
Compound characteristics
| Compound ID: | D285-0135 |
| Compound Name: | 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide |
| Molecular Weight: | 472.52 |
| Molecular Formula: | C24 H20 N6 O3 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(CSC1NC(C(C#N)=C(c2ccccc2)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.27 |
| logD: | -2.283 |
| logSw: | -2.0396 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.969 |
| InChI Key: | CQFSKEQQQOHMIN-UHFFFAOYSA-N |