3,5-dimethylphenyl 5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxylate
Chemical Structure Depiction of
3,5-dimethylphenyl 5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxylate
3,5-dimethylphenyl 5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D650-0072 |
| Compound Name: | 3,5-dimethylphenyl 5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxylate |
| Molecular Weight: | 416.88 |
| Molecular Formula: | C20 H17 Cl N2 O4 S |
| Smiles: | Cc1cc(C)cc(c1)OC(c1c(cnc(n1)S(Cc1ccccc1)(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2211 |
| logD: | 4.2211 |
| logSw: | -4.5091 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.794 |
| InChI Key: | YHYZPOQLIWBHDQ-UHFFFAOYSA-N |