ethyl 4-amino-2-{[2-(2-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-{[2-(2-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
ethyl 4-amino-2-{[2-(2-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E726-0094 |
| Compound Name: | ethyl 4-amino-2-{[2-(2-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 380.85 |
| Molecular Formula: | C16 H17 Cl N4 O3 S |
| Smiles: | CCOC(c1cnc(nc1N)SCC(Nc1ccc(C)cc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9935 |
| logD: | 2.9933 |
| logSw: | -3.3947 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.684 |
| InChI Key: | BWVKVQAGKJUAJW-UHFFFAOYSA-N |