3-methylphenyl 5-chloro-2-(ethanesulfonyl)pyrimidine-4-carboxylate
Chemical Structure Depiction of
3-methylphenyl 5-chloro-2-(ethanesulfonyl)pyrimidine-4-carboxylate
3-methylphenyl 5-chloro-2-(ethanesulfonyl)pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D491-0166 |
| Compound Name: | 3-methylphenyl 5-chloro-2-(ethanesulfonyl)pyrimidine-4-carboxylate |
| Molecular Weight: | 340.78 |
| Molecular Formula: | C14 H13 Cl N2 O4 S |
| Smiles: | CCS(c1ncc(c(C(=O)Oc2cccc(C)c2)n1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8107 |
| logD: | 2.8107 |
| logSw: | -3.4042 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.065 |
| InChI Key: | IJPXOPBVXVPPEW-UHFFFAOYSA-N |