ethyl 4-amino-2-({2-[3-(methylsulfanyl)anilino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-({2-[3-(methylsulfanyl)anilino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
ethyl 4-amino-2-({2-[3-(methylsulfanyl)anilino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E726-0044 |
| Compound Name: | ethyl 4-amino-2-({2-[3-(methylsulfanyl)anilino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 378.47 |
| Molecular Formula: | C16 H18 N4 O3 S2 |
| Smiles: | CCOC(c1cnc(nc1N)SCC(Nc1cccc(c1)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7306 |
| logD: | 2.7306 |
| logSw: | -3.3044 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.382 |
| InChI Key: | YGKKEBFIVCWQCV-UHFFFAOYSA-N |