ethyl 4-amino-2-({2-[4-chloro-3-(methoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-({2-[4-chloro-3-(methoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
ethyl 4-amino-2-({2-[4-chloro-3-(methoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | D133-0045 |
| Compound Name: | ethyl 4-amino-2-({2-[4-chloro-3-(methoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 424.86 |
| Molecular Formula: | C17 H17 Cl N4 O5 S |
| Smiles: | CCOC(c1cnc(nc1N)SCC(Nc1ccc(c(c1)C(=O)OC)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9586 |
| logD: | 2.9582 |
| logSw: | -3.5527 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.555 |
| InChI Key: | VLAZOBPNYDNHDH-UHFFFAOYSA-N |