ethyl 4-amino-2-{[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-{[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
ethyl 4-amino-2-{[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E726-0266 |
| Compound Name: | ethyl 4-amino-2-{[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 357.39 |
| Molecular Formula: | C16 H15 N5 O3 S |
| Smiles: | CCOC(c1cnc(nc1N)SCC(Nc1cccc(C#N)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1306 |
| logD: | 2.1305 |
| logSw: | -2.9589 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.438 |
| InChI Key: | XFGZKKCHQWLMHK-UHFFFAOYSA-N |