cyclopentyl {[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
cyclopentyl {[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetate
cyclopentyl {[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | D623-0189 |
| Compound Name: | cyclopentyl {[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 345.37 |
| Molecular Formula: | C16 H15 N3 O4 S |
| Smiles: | C1CCC(C1)OC(CSC1NC(C(C#N)=C(c2ccco2)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7168 |
| logD: | -1.4405 |
| logSw: | -2.3008 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.143 |
| InChI Key: | HQJGJNYADHUTEI-UHFFFAOYSA-N |