2-acetyl-3,5-dimethylphenyl 5-chloro-2-(methanesulfonyl)pyrimidine-4-carboxylate
Chemical Structure Depiction of
2-acetyl-3,5-dimethylphenyl 5-chloro-2-(methanesulfonyl)pyrimidine-4-carboxylate
2-acetyl-3,5-dimethylphenyl 5-chloro-2-(methanesulfonyl)pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D650-0012 |
| Compound Name: | 2-acetyl-3,5-dimethylphenyl 5-chloro-2-(methanesulfonyl)pyrimidine-4-carboxylate |
| Molecular Weight: | 382.82 |
| Molecular Formula: | C16 H15 Cl N2 O5 S |
| Smiles: | CC(c1c(C)cc(C)cc1OC(c1c(cnc(n1)S(C)(=O)=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.46 |
| logD: | 2.46 |
| logSw: | -3.2866 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.691 |
| InChI Key: | XFYNRTSUKMTJQH-UHFFFAOYSA-N |