3,4-dimethylphenyl 5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
Chemical Structure Depiction of
3,4-dimethylphenyl 5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
3,4-dimethylphenyl 5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D650-0111 |
| Compound Name: | 3,4-dimethylphenyl 5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate |
| Molecular Weight: | 430.91 |
| Molecular Formula: | C21 H19 Cl N2 O4 S |
| Smiles: | Cc1ccc(CS(c2ncc(c(C(=O)Oc3ccc(C)c(C)c3)n2)[Cl])(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8122 |
| logD: | 4.8122 |
| logSw: | -4.9186 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.794 |
| InChI Key: | IYJPZZYXJWWVOJ-UHFFFAOYSA-N |