3-({[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoic acid
Chemical Structure Depiction of
3-({[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoic acid
3-({[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoic acid
Compound characteristics
| Compound ID: | D518-0006 |
| Compound Name: | 3-({[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoic acid |
| Molecular Weight: | 353.35 |
| Molecular Formula: | C17 H11 N3 O4 S |
| Smiles: | C(c1cccc(c1)C(O)=O)SC1NC(C(C#N)=C(c2ccco2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.364 |
| logD: | -0.5699 |
| logSw: | -2.736 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.425 |
| InChI Key: | FURQWAPWSOKFNL-UHFFFAOYSA-N |