4-acetyl-2-methylphenyl 5-chloro-2-(ethanesulfonyl)pyrimidine-4-carboxylate
Chemical Structure Depiction of
4-acetyl-2-methylphenyl 5-chloro-2-(ethanesulfonyl)pyrimidine-4-carboxylate
4-acetyl-2-methylphenyl 5-chloro-2-(ethanesulfonyl)pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D650-0037 |
| Compound Name: | 4-acetyl-2-methylphenyl 5-chloro-2-(ethanesulfonyl)pyrimidine-4-carboxylate |
| Molecular Weight: | 382.82 |
| Molecular Formula: | C16 H15 Cl N2 O5 S |
| Smiles: | CCS(c1ncc(c(C(=O)Oc2ccc(cc2C)C(C)=O)n1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2436 |
| logD: | 2.2436 |
| logSw: | -3.1767 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.979 |
| InChI Key: | QINSNWUZQJRLLE-UHFFFAOYSA-N |