5-methyl-2-(propan-2-yl)phenyl 5-chloro-2-[(4-chlorophenyl)methanesulfonyl]pyrimidine-4-carboxylate
Chemical Structure Depiction of
5-methyl-2-(propan-2-yl)phenyl 5-chloro-2-[(4-chlorophenyl)methanesulfonyl]pyrimidine-4-carboxylate
5-methyl-2-(propan-2-yl)phenyl 5-chloro-2-[(4-chlorophenyl)methanesulfonyl]pyrimidine-4-carboxylate
Compound characteristics
Compound ID: | D491-0254 |
Compound Name: | 5-methyl-2-(propan-2-yl)phenyl 5-chloro-2-[(4-chlorophenyl)methanesulfonyl]pyrimidine-4-carboxylate |
Molecular Weight: | 479.38 |
Molecular Formula: | C22 H20 Cl2 N2 O4 S |
Smiles: | CC(C)c1ccc(C)cc1OC(c1c(cnc(n1)S(Cc1ccc(cc1)[Cl])(=O)=O)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 5.6894 |
logD: | 5.6894 |
logSw: | -5.8768 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 68.881 |
InChI Key: | RDDFWLJHYVFAFG-UHFFFAOYSA-N |