2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-ethyl-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-ethyl-N-(3-methylphenyl)acetamide
2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-ethyl-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | D490-0953 |
| Compound Name: | 2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-ethyl-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 438.93 |
| Molecular Formula: | C22 H19 Cl N4 O2 S |
| Smiles: | CCN(C(CSC1NC(C(C#N)=C(c2ccc(cc2)[Cl])N=1)=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.3496 |
| logD: | 0.7966 |
| logSw: | -4.6032 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.53 |
| InChI Key: | CLYFWVOMSPMZSL-UHFFFAOYSA-N |