ethyl 4-amino-2-({2-[4-(butoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-({2-[4-(butoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
ethyl 4-amino-2-({2-[4-(butoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | D133-0051 |
| Compound Name: | ethyl 4-amino-2-({2-[4-(butoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 432.5 |
| Molecular Formula: | C20 H24 N4 O5 S |
| Smiles: | CCCCOC(c1ccc(cc1)NC(CSc1ncc(C(=O)OCC)c(N)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8558 |
| logD: | 3.8557 |
| logSw: | -3.9688 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.429 |
| InChI Key: | PAIIAZXRZSHODF-UHFFFAOYSA-N |