2-acetyl-4-fluorophenyl 5-chloro-2-(ethanesulfonyl)pyrimidine-4-carboxylate
Chemical Structure Depiction of
2-acetyl-4-fluorophenyl 5-chloro-2-(ethanesulfonyl)pyrimidine-4-carboxylate
2-acetyl-4-fluorophenyl 5-chloro-2-(ethanesulfonyl)pyrimidine-4-carboxylate
Compound characteristics
Compound ID: | D650-0039 |
Compound Name: | 2-acetyl-4-fluorophenyl 5-chloro-2-(ethanesulfonyl)pyrimidine-4-carboxylate |
Molecular Weight: | 386.78 |
Molecular Formula: | C15 H12 Cl F N2 O5 S |
Smiles: | CCS(c1ncc(c(C(=O)Oc2ccc(cc2C(C)=O)F)n1)[Cl])(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.0745 |
logD: | 2.0745 |
logSw: | -3.2276 |
Hydrogen bond acceptors count: | 11 |
Polar surface area: | 82.979 |
InChI Key: | FKUXRYJEWLGKAU-UHFFFAOYSA-N |