3,5-dimethylphenyl 5-chloro-2-(methanesulfonyl)pyrimidine-4-carboxylate
Chemical Structure Depiction of
3,5-dimethylphenyl 5-chloro-2-(methanesulfonyl)pyrimidine-4-carboxylate
3,5-dimethylphenyl 5-chloro-2-(methanesulfonyl)pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D053-0056 |
| Compound Name: | 3,5-dimethylphenyl 5-chloro-2-(methanesulfonyl)pyrimidine-4-carboxylate |
| Molecular Weight: | 340.78 |
| Molecular Formula: | C14 H13 Cl N2 O4 S |
| Smiles: | Cc1cc(C)cc(c1)OC(c1c(cnc(n1)S(C)(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5375 |
| logD: | 2.5375 |
| logSw: | -3.0783 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.778 |
| InChI Key: | AXSOYRSFDWECDC-UHFFFAOYSA-N |