5-methyl-2-(propan-2-yl)phenyl 5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
Chemical Structure Depiction of
5-methyl-2-(propan-2-yl)phenyl 5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
5-methyl-2-(propan-2-yl)phenyl 5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D491-0226 |
| Compound Name: | 5-methyl-2-(propan-2-yl)phenyl 5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate |
| Molecular Weight: | 458.96 |
| Molecular Formula: | C23 H23 Cl N2 O4 S |
| Smiles: | CC(C)c1ccc(C)cc1OC(c1c(cnc(n1)S(Cc1ccc(C)cc1)(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.518 |
| logD: | 5.518 |
| logSw: | -5.862 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.881 |
| InChI Key: | PDPSNVLJTCENIE-UHFFFAOYSA-N |