ethyl 4-amino-2-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
ethyl 4-amino-2-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Compound characteristics
Compound ID: | E726-0093 |
Compound Name: | ethyl 4-amino-2-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate |
Molecular Weight: | 429.27 |
Molecular Formula: | C15 H14 Br F N4 O3 S |
Smiles: | CCOC(c1cnc(nc1N)SCC(Nc1ccc(cc1F)[Br])=O)=O |
Stereo: | ACHIRAL |
logP: | 2.9502 |
logD: | 2.9424 |
logSw: | -3.3988 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 81.684 |
InChI Key: | GAQWSTXXPMYNDB-UHFFFAOYSA-N |