ethyl 4-amino-2-{[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-{[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
ethyl 4-amino-2-{[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | D133-0024 |
| Compound Name: | ethyl 4-amino-2-{[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 396.85 |
| Molecular Formula: | C16 H17 Cl N4 O4 S |
| Smiles: | CCOC(c1cnc(nc1N)SCC(Nc1ccc(c(c1)[Cl])OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7803 |
| logD: | 2.78 |
| logSw: | -3.424 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.012 |
| InChI Key: | RDGKKAVNCHAXLS-UHFFFAOYSA-N |