2-{[(4-bromophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
2-{[(4-bromophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
2-{[(4-bromophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D285-0214 |
| Compound Name: | 2-{[(4-bromophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 412.31 |
| Molecular Formula: | C19 H14 Br N3 O S |
| Smiles: | Cc1ccc(cc1)C1=C(C#N)C(NC(=N1)SCc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4072 |
| logD: | 1.0776 |
| logSw: | -4.2151 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.438 |
| InChI Key: | DGOPPGAAOXWPHD-UHFFFAOYSA-N |