3,4-dimethylphenyl 5-chloro-2-(methanesulfonyl)pyrimidine-4-carboxylate
Chemical Structure Depiction of
3,4-dimethylphenyl 5-chloro-2-(methanesulfonyl)pyrimidine-4-carboxylate
3,4-dimethylphenyl 5-chloro-2-(methanesulfonyl)pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D053-0055 |
| Compound Name: | 3,4-dimethylphenyl 5-chloro-2-(methanesulfonyl)pyrimidine-4-carboxylate |
| Molecular Weight: | 340.78 |
| Molecular Formula: | C14 H13 Cl N2 O4 S |
| Smiles: | Cc1ccc(cc1C)OC(c1c(cnc(n1)S(C)(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7052 |
| logD: | 2.7052 |
| logSw: | -3.4682 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.778 |
| InChI Key: | LLXSMNQOISVFAE-UHFFFAOYSA-N |