ethyl 4-amino-2-{[2-(2-bromo-4,5-dimethylanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-{[2-(2-bromo-4,5-dimethylanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
ethyl 4-amino-2-{[2-(2-bromo-4,5-dimethylanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | D133-0012 |
| Compound Name: | ethyl 4-amino-2-{[2-(2-bromo-4,5-dimethylanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 439.33 |
| Molecular Formula: | C17 H19 Br N4 O3 S |
| Smiles: | CCOC(c1cnc(nc1N)SCC(Nc1cc(C)c(C)cc1[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4906 |
| logD: | 3.4906 |
| logSw: | -3.7433 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.684 |
| InChI Key: | BUEFZBCEIZBHNW-UHFFFAOYSA-N |