ethyl 4-{[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl}-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-{[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl}-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate
ethyl 4-{[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl}-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate
Compound characteristics
Compound ID: | G857-0864 |
Compound Name: | ethyl 4-{[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl}-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate |
Molecular Weight: | 365.38 |
Molecular Formula: | C16 H16 F N3 O4 S |
Smiles: | CCOC(C1=C(C)NC(N=C1SCC(Nc1cccc(c1)F)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.9004 |
logD: | -1.3681 |
logSw: | -2.6371 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 75.975 |
InChI Key: | ARFHFWGLYMNMAE-UHFFFAOYSA-N |