ethyl 3-acetyl-4-(3,4-dimethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 3-acetyl-4-(3,4-dimethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 3-acetyl-4-(3,4-dimethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 4476-0141 |
| Compound Name: | ethyl 3-acetyl-4-(3,4-dimethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 378.45 |
| Molecular Formula: | C18 H22 N2 O5 S |
| Smiles: | [H]N1C(C)=C(C(c2ccc(c(c2)OC)OC)N(C(C)=O)C1=S)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0491 |
| logD: | 0.0911 |
| logSw: | -2.9136 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.833 |
| InChI Key: | DQTWGDAVOCNYMX-INIZCTEOSA-N |