2-{[(4-bromophenyl)methyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
2-{[(4-bromophenyl)methyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
2-{[(4-bromophenyl)methyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D285-0033 |
| Compound Name: | 2-{[(4-bromophenyl)methyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 398.28 |
| Molecular Formula: | C18 H12 Br N3 O S |
| Smiles: | C(c1ccc(cc1)[Br])SC1NC(C(C#N)=C(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8787 |
| logD: | 0.5491 |
| logSw: | -4.1362 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.438 |
| InChI Key: | XUTDWKUVMPEWSM-UHFFFAOYSA-N |