N-(butan-2-yl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(butan-2-yl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
N-(butan-2-yl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D490-0908 |
| Compound Name: | N-(butan-2-yl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 376.86 |
| Molecular Formula: | C17 H17 Cl N4 O2 S |
| Smiles: | CCC(C)NC(CSC1NC(C(C#N)=C(c2ccc(cc2)[Cl])N=1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5673 |
| logD: | -0.9857 |
| logSw: | -3.4508 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.623 |
| InChI Key: | OKTUMCZPTONGNG-JTQLQIEISA-N |