ethyl 4-amino-2-{[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-{[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
ethyl 4-amino-2-{[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | D133-0011 |
| Compound Name: | ethyl 4-amino-2-{[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 396.85 |
| Molecular Formula: | C16 H17 Cl N4 O4 S |
| Smiles: | CCOC(c1cnc(nc1N)SCC(Nc1cc(ccc1OC)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5226 |
| logD: | 2.5191 |
| logSw: | -3.4122 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.314 |
| InChI Key: | XSTVZIVTXCNMBT-UHFFFAOYSA-N |