3-bromophenyl 5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxylate
Chemical Structure Depiction of
3-bromophenyl 5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxylate
3-bromophenyl 5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D650-0066 |
| Compound Name: | 3-bromophenyl 5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxylate |
| Molecular Weight: | 467.72 |
| Molecular Formula: | C18 H12 Br Cl N2 O4 S |
| Smiles: | C(c1ccccc1)S(c1ncc(c(C(=O)Oc2cccc(c2)[Br])n1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1187 |
| logD: | 4.1187 |
| logSw: | -4.393 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.794 |
| InChI Key: | HOCKUCNYIZJBHJ-UHFFFAOYSA-N |