ethyl 2-{[1-(3-acetylanilino)-1-oxobutan-2-yl]sulfanyl}-4-aminopyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 2-{[1-(3-acetylanilino)-1-oxobutan-2-yl]sulfanyl}-4-aminopyrimidine-5-carboxylate
ethyl 2-{[1-(3-acetylanilino)-1-oxobutan-2-yl]sulfanyl}-4-aminopyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E726-0353 |
| Compound Name: | ethyl 2-{[1-(3-acetylanilino)-1-oxobutan-2-yl]sulfanyl}-4-aminopyrimidine-5-carboxylate |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C19 H22 N4 O4 S |
| Smiles: | CCC(C(Nc1cccc(c1)C(C)=O)=O)Sc1ncc(C(=O)OCC)c(N)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9597 |
| logD: | 2.9595 |
| logSw: | -3.3083 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.422 |
| InChI Key: | MSTPFSKATGOVHT-HNNXBMFYSA-N |