2-acetyl-3,5-dimethylphenyl 5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxylate
Chemical Structure Depiction of
2-acetyl-3,5-dimethylphenyl 5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxylate
2-acetyl-3,5-dimethylphenyl 5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D650-0084 |
| Compound Name: | 2-acetyl-3,5-dimethylphenyl 5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxylate |
| Molecular Weight: | 458.92 |
| Molecular Formula: | C22 H19 Cl N2 O5 S |
| Smiles: | CC(c1c(C)cc(C)cc1OC(c1c(cnc(n1)S(Cc1ccccc1)(=O)=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1437 |
| logD: | 4.1437 |
| logSw: | -4.6267 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.707 |
| InChI Key: | NLXWJOHMRREIOQ-UHFFFAOYSA-N |