ethyl 4-amino-2-({2-[2-(ethoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-({2-[2-(ethoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
ethyl 4-amino-2-({2-[2-(ethoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E726-0073 |
| Compound Name: | ethyl 4-amino-2-({2-[2-(ethoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 404.44 |
| Molecular Formula: | C18 H20 N4 O5 S |
| Smiles: | CCOC(c1ccccc1NC(CSc1ncc(C(=O)OCC)c(N)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5379 |
| logD: | 2.5249 |
| logSw: | -2.881 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.437 |
| InChI Key: | CRPXWMYEKXYXIE-UHFFFAOYSA-N |