ethyl 4-amino-2-{[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-{[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
ethyl 4-amino-2-{[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E726-0106 |
| Compound Name: | ethyl 4-amino-2-{[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 426.88 |
| Molecular Formula: | C17 H19 Cl N4 O5 S |
| Smiles: | CCOC(c1cnc(nc1N)SCC(Nc1cc(c(cc1OC)OC)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5685 |
| logD: | 2.5613 |
| logSw: | -3.3172 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.945 |
| InChI Key: | DFZYUCKPBQXWNH-UHFFFAOYSA-N |