2-methoxyethyl 1,6-dimethyl-4-[3-(2-methylpropanamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-methoxyethyl 1,6-dimethyl-4-[3-(2-methylpropanamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-methoxyethyl 1,6-dimethyl-4-[3-(2-methylpropanamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V026-2732 |
| Compound Name: | 2-methoxyethyl 1,6-dimethyl-4-[3-(2-methylpropanamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 405.51 |
| Molecular Formula: | C20 H27 N3 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)C(Nc1cccc(c1)C1C(=C(C)N(C)C(N1)=S)C(=O)OCCOC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9161 |
| logD: | 1.9158 |
| logSw: | -2.7069 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.266 |
| InChI Key: | IEZNVVKBFQQPHI-QGZVFWFLSA-N |