4-acetyl-2-methylphenyl 5-chloro-2-[(4-chlorophenyl)methanesulfonyl]pyrimidine-4-carboxylate
Chemical Structure Depiction of
4-acetyl-2-methylphenyl 5-chloro-2-[(4-chlorophenyl)methanesulfonyl]pyrimidine-4-carboxylate
4-acetyl-2-methylphenyl 5-chloro-2-[(4-chlorophenyl)methanesulfonyl]pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D650-0275 |
| Compound Name: | 4-acetyl-2-methylphenyl 5-chloro-2-[(4-chlorophenyl)methanesulfonyl]pyrimidine-4-carboxylate |
| Molecular Weight: | 479.34 |
| Molecular Formula: | C21 H16 Cl2 N2 O5 S |
| Smiles: | CC(c1ccc(c(C)c1)OC(c1c(cnc(n1)S(Cc1ccc(cc1)[Cl])(=O)=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8713 |
| logD: | 3.8713 |
| logSw: | -4.3563 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.707 |
| InChI Key: | BFBCLIFSDWJQQP-UHFFFAOYSA-N |