3-cyclohexyl-5-(diethylsulfaniumyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Chemical Structure Depiction of
3-cyclohexyl-5-(diethylsulfaniumyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
3-cyclohexyl-5-(diethylsulfaniumyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Compound characteristics
| Compound ID: | 8013-0609 |
| Compound Name: | 3-cyclohexyl-5-(diethylsulfaniumyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate |
| Molecular Weight: | 298.4 |
| Molecular Formula: | C14 H22 N2 O3 S |
| Smiles: | CC[S+](CC)C1=C(N(C2CCCCC2)C(NC1=O)=O)[O-] |
| Stereo: | ACHIRAL |
| logP: | 2.5326 |
| logD: | 2.5326 |
| logSw: | -2.6933 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.31 |
| InChI Key: | XENOJZQAVJCWQI-UHFFFAOYSA-N |