3-methylphenyl 5-chloro-2-[(3-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
Chemical Structure Depiction of
3-methylphenyl 5-chloro-2-[(3-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
3-methylphenyl 5-chloro-2-[(3-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D650-0135 |
| Compound Name: | 3-methylphenyl 5-chloro-2-[(3-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate |
| Molecular Weight: | 416.88 |
| Molecular Formula: | C20 H17 Cl N2 O4 S |
| Smiles: | Cc1cccc(CS(c2ncc(c(C(=O)Oc3cccc(C)c3)n2)[Cl])(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.7678 |
| logD: | 4.7678 |
| logSw: | -4.9245 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.794 |
| InChI Key: | JZZQVLVAJJYPCG-UHFFFAOYSA-N |