ethyl 4-amino-2-{[1-(4-fluoroanilino)-1-oxobutan-2-yl]sulfanyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-{[1-(4-fluoroanilino)-1-oxobutan-2-yl]sulfanyl}pyrimidine-5-carboxylate
ethyl 4-amino-2-{[1-(4-fluoroanilino)-1-oxobutan-2-yl]sulfanyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E726-0335 |
| Compound Name: | ethyl 4-amino-2-{[1-(4-fluoroanilino)-1-oxobutan-2-yl]sulfanyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 378.42 |
| Molecular Formula: | C17 H19 F N4 O3 S |
| Smiles: | CCC(C(Nc1ccc(cc1)F)=O)Sc1ncc(C(=O)OCC)c(N)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2479 |
| logD: | 3.2476 |
| logSw: | -3.5733 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.595 |
| InChI Key: | ZKARRCRFYLTKQV-ZDUSSCGKSA-N |