4-(propan-2-yl)phenyl 5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
Chemical Structure Depiction of
4-(propan-2-yl)phenyl 5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
4-(propan-2-yl)phenyl 5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D650-0102 |
| Compound Name: | 4-(propan-2-yl)phenyl 5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate |
| Molecular Weight: | 444.94 |
| Molecular Formula: | C22 H21 Cl N2 O4 S |
| Smiles: | CC(C)c1ccc(cc1)OC(c1c(cnc(n1)S(Cc1ccc(C)cc1)(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2 |
| logD: | 5.2 |
| logSw: | -5.763 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.794 |
| InChI Key: | BNBLXTXUAXZKIO-UHFFFAOYSA-N |