ethyl 4-amino-2-{[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-{[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
ethyl 4-amino-2-{[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E726-0026 |
| Compound Name: | ethyl 4-amino-2-{[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 392.43 |
| Molecular Formula: | C17 H20 N4 O5 S |
| Smiles: | CCOC(c1cnc(nc1N)SCC(Nc1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8046 |
| logD: | 1.8046 |
| logSw: | -2.7064 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.642 |
| InChI Key: | XRGTUFOPOVARLS-UHFFFAOYSA-N |