ethyl 4-amino-2-{[1-(5-chloro-2,4-dimethoxyanilino)-1-oxobutan-2-yl]sulfanyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-{[1-(5-chloro-2,4-dimethoxyanilino)-1-oxobutan-2-yl]sulfanyl}pyrimidine-5-carboxylate
ethyl 4-amino-2-{[1-(5-chloro-2,4-dimethoxyanilino)-1-oxobutan-2-yl]sulfanyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E726-0354 |
| Compound Name: | ethyl 4-amino-2-{[1-(5-chloro-2,4-dimethoxyanilino)-1-oxobutan-2-yl]sulfanyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 454.93 |
| Molecular Formula: | C19 H23 Cl N4 O5 S |
| Smiles: | CCC(C(Nc1cc(c(cc1OC)OC)[Cl])=O)Sc1ncc(C(=O)OCC)c(N)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8162 |
| logD: | 3.7963 |
| logSw: | -4.155 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.158 |
| InChI Key: | JLTCPFYHFGJFAI-HNNXBMFYSA-N |