ethyl 4-amino-2-{[2-(4-bromo-2-methylanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-{[2-(4-bromo-2-methylanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
ethyl 4-amino-2-{[2-(4-bromo-2-methylanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | D133-0035 |
| Compound Name: | ethyl 4-amino-2-{[2-(4-bromo-2-methylanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 425.3 |
| Molecular Formula: | C16 H17 Br N4 O3 S |
| Smiles: | CCOC(c1cnc(nc1N)SCC(Nc1ccc(cc1C)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0879 |
| logD: | 3.0877 |
| logSw: | -3.2397 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.684 |
| InChI Key: | SSQXJCUESYNCKG-UHFFFAOYSA-N |