4-bromophenyl 5-chloro-2-[(3-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
Chemical Structure Depiction of
4-bromophenyl 5-chloro-2-[(3-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
4-bromophenyl 5-chloro-2-[(3-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D650-0139 |
| Compound Name: | 4-bromophenyl 5-chloro-2-[(3-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate |
| Molecular Weight: | 481.75 |
| Molecular Formula: | C19 H14 Br Cl N2 O4 S |
| Smiles: | Cc1cccc(CS(c2ncc(c(C(=O)Oc3ccc(cc3)[Br])n2)[Cl])(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.1965 |
| logD: | 5.1965 |
| logSw: | -5.6659 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.794 |
| InChI Key: | BHLNLJWAUSAWHA-UHFFFAOYSA-N |