2-acetyl-4-methylphenyl 5-chloro-2-[(3-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
Chemical Structure Depiction of
2-acetyl-4-methylphenyl 5-chloro-2-[(3-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
2-acetyl-4-methylphenyl 5-chloro-2-[(3-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
Compound characteristics
Compound ID: | D650-0149 |
Compound Name: | 2-acetyl-4-methylphenyl 5-chloro-2-[(3-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate |
Molecular Weight: | 458.92 |
Molecular Formula: | C22 H19 Cl N2 O5 S |
Smiles: | CC(c1cc(C)ccc1OC(c1c(cnc(n1)S(Cc1cccc(C)c1)(=O)=O)[Cl])=O)=O |
Stereo: | ACHIRAL |
logP: | 4.2127 |
logD: | 4.2127 |
logSw: | -4.5716 |
Hydrogen bond acceptors count: | 11 |
Polar surface area: | 82.707 |
InChI Key: | IFUQFBDLHVKCEO-UHFFFAOYSA-N |