methyl 4-[4-(2-methoxy-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-[4-(2-methoxy-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-[4-(2-methoxy-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8007-0496 |
| Compound Name: | methyl 4-[4-(2-methoxy-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 350.39 |
| Molecular Formula: | C16 H18 N2 O5 S |
| Smiles: | CC1=C(C(c2ccc(cc2)OCC(=O)OC)NC(N1)=S)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1149 |
| logD: | 1.0988 |
| logSw: | -2.0374 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.926 |
| InChI Key: | CLCASJOIYHNWKY-CQSZACIVSA-N |