ethyl 4-[2-(2-amino-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-[2-(2-amino-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-[2-(2-amino-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | Y500-9175 |
| Compound Name: | ethyl 4-[2-(2-amino-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 349.41 |
| Molecular Formula: | C16 H19 N3 O4 S |
| Smiles: | CCOC(C1C(c2ccccc2OCC(N)=O)NC(NC=1C)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1868 |
| logD: | 1.1708 |
| logSw: | -2.1757 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 84.401 |
| InChI Key: | ISQUOGNBTNNMBE-CQSZACIVSA-N |