5-methyl-2-(propan-2-yl)cyclohexyl [(4,6-dioxo-5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
5-methyl-2-(propan-2-yl)cyclohexyl [(4,6-dioxo-5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetate
5-methyl-2-(propan-2-yl)cyclohexyl [(4,6-dioxo-5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 8009-2788 |
| Compound Name: | 5-methyl-2-(propan-2-yl)cyclohexyl [(4,6-dioxo-5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C22 H28 N2 O4 S |
| Smiles: | CC1CCC(C(C)C)C(C1)OC(CSC1NC(C(C(N=1)=O)c1ccccc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.256 |
| logD: | -3.8658 |
| logSw: | -4.2201 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.726 |
| InChI Key: | YTGBKFXXDWLPFE-UHFFFAOYSA-N |