ethyl 4-amino-2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
ethyl 4-amino-2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | D133-0034 |
| Compound Name: | ethyl 4-amino-2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 366.82 |
| Molecular Formula: | C15 H15 Cl N4 O3 S |
| Smiles: | CCOC(c1cnc(nc1N)SCC(Nc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8644 |
| logD: | 2.8643 |
| logSw: | -3.632 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.382 |
| InChI Key: | JRKFGPWVISEGAF-UHFFFAOYSA-N |