methyl 3-{[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}benzoate
Chemical Structure Depiction of
methyl 3-{[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}benzoate
methyl 3-{[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}benzoate
Compound characteristics
| Compound ID: | D285-0008 |
| Compound Name: | methyl 3-{[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}benzoate |
| Molecular Weight: | 377.42 |
| Molecular Formula: | C20 H15 N3 O3 S |
| Smiles: | COC(c1cccc(CSC2NC(C(C#N)=C(c3ccccc3)N=2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3073 |
| logD: | -0.0223 |
| logSw: | -3.707 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.612 |
| InChI Key: | LPYLVGFGBYWOTJ-UHFFFAOYSA-N |