4-(furan-2-yl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(furan-2-yl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
4-(furan-2-yl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D518-0010 |
| Compound Name: | 4-(furan-2-yl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-6-oxo-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 273.31 |
| Molecular Formula: | C13 H11 N3 O2 S |
| Smiles: | CC(=C)CSC1NC(C(C#N)=C(c2ccco2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2025 |
| logD: | -1.052 |
| logSw: | -2.639 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.288 |
| InChI Key: | NCWKOCUYNCSEOB-UHFFFAOYSA-N |