ethyl 2-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-4-aminopyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 2-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-4-aminopyrimidine-5-carboxylate
ethyl 2-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-4-aminopyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | D133-0001 |
| Compound Name: | ethyl 2-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-4-aminopyrimidine-5-carboxylate |
| Molecular Weight: | 374.42 |
| Molecular Formula: | C17 H18 N4 O4 S |
| Smiles: | CCOC(c1cnc(nc1N)SCC(Nc1ccc(cc1)C(C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8118 |
| logD: | 1.8116 |
| logSw: | -2.6087 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.208 |
| InChI Key: | BRXDZXNNGHKUAI-UHFFFAOYSA-N |