ethyl 4-{[(3-methoxyphenyl)methyl]amino}-2-(methylsulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-{[(3-methoxyphenyl)methyl]amino}-2-(methylsulfanyl)pyrimidine-5-carboxylate
ethyl 4-{[(3-methoxyphenyl)methyl]amino}-2-(methylsulfanyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | Y010-0666 |
| Compound Name: | ethyl 4-{[(3-methoxyphenyl)methyl]amino}-2-(methylsulfanyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 333.41 |
| Molecular Formula: | C16 H19 N3 O3 S |
| Smiles: | CCOC(c1cnc(nc1NCc1cccc(c1)OC)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4206 |
| logD: | 3.4206 |
| logSw: | -3.64 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.225 |
| InChI Key: | BDUOHOYRCYWPSP-UHFFFAOYSA-N |