ethyl 4-amino-2-{[2-(2,5-difluoroanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-{[2-(2,5-difluoroanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
ethyl 4-amino-2-{[2-(2,5-difluoroanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Compound characteristics
Compound ID: | E726-0270 |
Compound Name: | ethyl 4-amino-2-{[2-(2,5-difluoroanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate |
Molecular Weight: | 368.36 |
Molecular Formula: | C15 H14 F2 N4 O3 S |
Smiles: | CCOC(c1cnc(nc1N)SCC(Nc1cc(ccc1F)F)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.437 |
logD: | 2.4276 |
logSw: | -3.0062 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 81.684 |
InChI Key: | ORJHVWOYDJJHLT-UHFFFAOYSA-N |