ethyl 4-amino-2-({2-[2-(methoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-({2-[2-(methoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
ethyl 4-amino-2-({2-[2-(methoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | D133-0047 |
| Compound Name: | ethyl 4-amino-2-({2-[2-(methoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 390.42 |
| Molecular Formula: | C17 H18 N4 O5 S |
| Smiles: | CCOC(c1cnc(nc1N)SCC(Nc1ccccc1C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9943 |
| logD: | 1.9813 |
| logSw: | -2.689 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.857 |
| InChI Key: | SCKJARKOHMIOGM-UHFFFAOYSA-N |