2-acetyl-3,5-dimethylphenyl 5-chloro-2-[(4-chlorophenyl)methanesulfonyl]pyrimidine-4-carboxylate
Chemical Structure Depiction of
2-acetyl-3,5-dimethylphenyl 5-chloro-2-[(4-chlorophenyl)methanesulfonyl]pyrimidine-4-carboxylate
2-acetyl-3,5-dimethylphenyl 5-chloro-2-[(4-chlorophenyl)methanesulfonyl]pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D650-0269 |
| Compound Name: | 2-acetyl-3,5-dimethylphenyl 5-chloro-2-[(4-chlorophenyl)methanesulfonyl]pyrimidine-4-carboxylate |
| Molecular Weight: | 493.36 |
| Molecular Formula: | C22 H18 Cl2 N2 O5 S |
| Smiles: | CC(c1c(C)cc(C)cc1OC(c1c(cnc(n1)S(Cc1ccc(cc1)[Cl])(=O)=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7384 |
| logD: | 4.7384 |
| logSw: | -4.9918 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.707 |
| InChI Key: | AGOIYEZGQTUAEB-UHFFFAOYSA-N |