2-{[(4-chlorophenyl)methyl]sulfanyl}-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
2-{[(4-chlorophenyl)methyl]sulfanyl}-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D623-0054 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 343.79 |
| Molecular Formula: | C16 H10 Cl N3 O2 S |
| Smiles: | C(c1ccc(cc1)[Cl])SC1NC(C(C#N)=C(c2ccco2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8437 |
| logD: | -0.0902 |
| logSw: | -3.6325 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.017 |
| InChI Key: | ISNFJEQAVKWYOG-UHFFFAOYSA-N |