3,5-dimethylphenyl 5-chloro-2-[(3-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
Chemical Structure Depiction of
3,5-dimethylphenyl 5-chloro-2-[(3-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
3,5-dimethylphenyl 5-chloro-2-[(3-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D650-0133 |
| Compound Name: | 3,5-dimethylphenyl 5-chloro-2-[(3-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate |
| Molecular Weight: | 430.91 |
| Molecular Formula: | C21 H19 Cl N2 O4 S |
| Smiles: | Cc1cccc(CS(c2ncc(c(C(=O)Oc3cc(C)cc(C)c3)n2)[Cl])(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.1452 |
| logD: | 5.1452 |
| logSw: | -5.584 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.794 |
| InChI Key: | WNQDJVPEFDJZFP-UHFFFAOYSA-N |