N-(4-bromophenyl)-2-{[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-{[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanamide
N-(4-bromophenyl)-2-{[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanamide
Compound characteristics
| Compound ID: | D518-0191 |
| Compound Name: | N-(4-bromophenyl)-2-{[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanamide |
| Molecular Weight: | 445.29 |
| Molecular Formula: | C18 H13 Br N4 O3 S |
| Smiles: | CC(C(Nc1ccc(cc1)[Br])=O)SC1NC(C(C#N)=C(c2ccco2)N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3116 |
| logD: | 0.601 |
| logSw: | -3.6838 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.38 |
| InChI Key: | IHBXADGEIHCRDA-JTQLQIEISA-N |