methyl 4-(3,4-diethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-(3,4-diethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-(3,4-diethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 4590-0233 |
| Compound Name: | methyl 4-(3,4-diethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 350.43 |
| Molecular Formula: | C17 H22 N2 O4 S |
| Smiles: | CCOc1ccc(cc1OCC)C1C(=C(C)NC(N1)=S)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1181 |
| logD: | 2.102 |
| logSw: | -2.959 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.269 |
| InChI Key: | HIAGWPAQHRYXRP-OAHLLOKOSA-N |