4-acetyl-3-methylphenyl 5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxylate
Chemical Structure Depiction of
4-acetyl-3-methylphenyl 5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxylate
4-acetyl-3-methylphenyl 5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D650-0091 |
| Compound Name: | 4-acetyl-3-methylphenyl 5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxylate |
| Molecular Weight: | 444.89 |
| Molecular Formula: | C21 H17 Cl N2 O5 S |
| Smiles: | CC(c1ccc(cc1C)OC(c1c(cnc(n1)S(Cc1ccccc1)(=O)=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4465 |
| logD: | 3.4465 |
| logSw: | -3.8762 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.621 |
| InChI Key: | DWQMOEPNBNKOQM-UHFFFAOYSA-N |