2-acetyl-4-fluorophenyl 5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
Chemical Structure Depiction of
2-acetyl-4-fluorophenyl 5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
2-acetyl-4-fluorophenyl 5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D650-0123 |
| Compound Name: | 2-acetyl-4-fluorophenyl 5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate |
| Molecular Weight: | 462.88 |
| Molecular Formula: | C21 H16 Cl F N2 O5 S |
| Smiles: | CC(c1cc(ccc1OC(c1c(cnc(n1)S(Cc1ccc(C)cc1)(=O)=O)[Cl])=O)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5309 |
| logD: | 3.5309 |
| logSw: | -3.9925 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.707 |
| InChI Key: | BFOXZZUGIVNATQ-UHFFFAOYSA-N |