ethyl 4-amino-2-{[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]sulfanyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-{[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]sulfanyl}pyrimidine-5-carboxylate
ethyl 4-amino-2-{[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]sulfanyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E726-0382 |
| Compound Name: | ethyl 4-amino-2-{[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]sulfanyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 394.88 |
| Molecular Formula: | C17 H19 Cl N4 O3 S |
| Smiles: | CCOC(c1cnc(nc1N)SC(C)C(Nc1cc(ccc1C)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4575 |
| logD: | 3.4571 |
| logSw: | -3.8237 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.897 |
| InChI Key: | MGHWPZMRLMVXEJ-JTQLQIEISA-N |