ethyl 4-amino-2-({2-[4-chloro-3-(ethoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-({2-[4-chloro-3-(ethoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
ethyl 4-amino-2-({2-[4-chloro-3-(ethoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | D133-0046 |
| Compound Name: | ethyl 4-amino-2-({2-[4-chloro-3-(ethoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 438.89 |
| Molecular Formula: | C18 H19 Cl N4 O5 S |
| Smiles: | CCOC(c1cc(ccc1[Cl])NC(CSc1ncc(C(=O)OCC)c(N)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5022 |
| logD: | 3.5018 |
| logSw: | -3.7966 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.135 |
| InChI Key: | SBERRBCUQFXKBK-UHFFFAOYSA-N |