2-acetyl-4-chlorophenyl 5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxylate
Chemical Structure Depiction of
2-acetyl-4-chlorophenyl 5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxylate
2-acetyl-4-chlorophenyl 5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D650-0095 |
| Compound Name: | 2-acetyl-4-chlorophenyl 5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxylate |
| Molecular Weight: | 465.31 |
| Molecular Formula: | C20 H14 Cl2 N2 O5 S |
| Smiles: | CC(c1cc(ccc1OC(c1c(cnc(n1)S(Cc1ccccc1)(=O)=O)[Cl])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5629 |
| logD: | 3.5629 |
| logSw: | -4.0459 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.707 |
| InChI Key: | UYKDGZJARDHIQR-UHFFFAOYSA-N |