4-chloro-3-methylphenyl 5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
Chemical Structure Depiction of
4-chloro-3-methylphenyl 5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
4-chloro-3-methylphenyl 5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D650-0112 |
| Compound Name: | 4-chloro-3-methylphenyl 5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate |
| Molecular Weight: | 451.33 |
| Molecular Formula: | C20 H16 Cl2 N2 O4 S |
| Smiles: | Cc1ccc(CS(c2ncc(c(C(=O)Oc3ccc(c(C)c3)[Cl])n2)[Cl])(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0552 |
| logD: | 5.0552 |
| logSw: | -5.2576 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.794 |
| InChI Key: | PDSDEYGXJFHLMV-UHFFFAOYSA-N |