4-acetyl-3-methylphenyl 5-chloro-2-[(3-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
Chemical Structure Depiction of
4-acetyl-3-methylphenyl 5-chloro-2-[(3-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
4-acetyl-3-methylphenyl 5-chloro-2-[(3-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D650-0152 |
| Compound Name: | 4-acetyl-3-methylphenyl 5-chloro-2-[(3-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate |
| Molecular Weight: | 458.92 |
| Molecular Formula: | C22 H19 Cl N2 O5 S |
| Smiles: | CC(c1ccc(cc1C)OC(c1c(cnc(n1)S(Cc1cccc(C)c1)(=O)=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3706 |
| logD: | 4.3706 |
| logSw: | -4.5685 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.621 |
| InChI Key: | IQNQKTMSJCBPHC-UHFFFAOYSA-N |