3-methylcyclohexyl 6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
3-methylcyclohexyl 6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
3-methylcyclohexyl 6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 1630-0355 |
| Compound Name: | 3-methylcyclohexyl 6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 402.55 |
| Molecular Formula: | C22 H30 N2 O3 S |
| Smiles: | CCCOc1ccccc1C1C(=C(C)NC(N1)=S)C(=O)OC1CCCC(C)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0258 |
| logD: | 5.0098 |
| logSw: | -4.6056 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.263 |
| InChI Key: | JXJRGYWXZFSVTA-UHFFFAOYSA-N |