methyl 4-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8006-3918 |
| Compound Name: | methyl 4-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 380.42 |
| Molecular Formula: | C17 H20 N2 O6 S |
| Smiles: | CC1=C(C(c2ccc(c(c2)OC)OCC(=O)OC)NC(N1)=S)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0028 |
| logD: | 0.9867 |
| logSw: | -2.2214 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.643 |
| InChI Key: | CCLHFHLJFMVVFV-OAHLLOKOSA-N |