N-(4-bromophenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanamide
N-(4-bromophenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanamide
Compound characteristics
| Compound ID: | D490-0977 |
| Compound Name: | N-(4-bromophenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanamide |
| Molecular Weight: | 489.78 |
| Molecular Formula: | C20 H14 Br Cl N4 O2 S |
| Smiles: | CC(C(Nc1ccc(cc1)[Br])=O)SC1NC(C(C#N)=C(c2ccc(cc2)[Cl])N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8072 |
| logD: | 1.7012 |
| logSw: | -4.8719 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.801 |
| InChI Key: | IQLKZTQJKFBJOW-NSHDSACASA-N |