ethyl 4-amino-2-{[1-(3-cyanoanilino)-1-oxobutan-2-yl]sulfanyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-{[1-(3-cyanoanilino)-1-oxobutan-2-yl]sulfanyl}pyrimidine-5-carboxylate
ethyl 4-amino-2-{[1-(3-cyanoanilino)-1-oxobutan-2-yl]sulfanyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E726-0359 |
| Compound Name: | ethyl 4-amino-2-{[1-(3-cyanoanilino)-1-oxobutan-2-yl]sulfanyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 385.44 |
| Molecular Formula: | C18 H19 N5 O3 S |
| Smiles: | CCC(C(Nc1cccc(C#N)c1)=O)Sc1ncc(C(=O)OCC)c(N)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0798 |
| logD: | 3.0795 |
| logSw: | -3.4168 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.651 |
| InChI Key: | JYHPNQJDNQDPFY-AWEZNQCLSA-N |