benzyl 4-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
benzyl 4-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
benzyl 4-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 1630-0235 |
| Compound Name: | benzyl 4-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C21 H22 N2 O3 S |
| Smiles: | CCOc1ccccc1C1C(=C(C)NC(N1)=S)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0209 |
| logD: | 4.0119 |
| logSw: | -4.2525 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.742 |
| InChI Key: | MDQPDUPVBQQWRJ-LJQANCHMSA-N |