4-(furan-2-yl)-2-{[(4-methylphenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(furan-2-yl)-2-{[(4-methylphenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
4-(furan-2-yl)-2-{[(4-methylphenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D623-0056 |
| Compound Name: | 4-(furan-2-yl)-2-{[(4-methylphenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 323.37 |
| Molecular Formula: | C17 H13 N3 O2 S |
| Smiles: | Cc1ccc(CSC2NC(C(C#N)=C(c3ccco3)N=2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.6724 |
| logD: | -0.2616 |
| logSw: | -2.9478 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.017 |
| InChI Key: | XTGMBAYAPMPTSV-UHFFFAOYSA-N |