3,4-dimethylphenyl 5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxylate
Chemical Structure Depiction of
3,4-dimethylphenyl 5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxylate
3,4-dimethylphenyl 5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D233-0531 |
| Compound Name: | 3,4-dimethylphenyl 5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxylate |
| Molecular Weight: | 416.88 |
| Molecular Formula: | C20 H17 Cl N2 O4 S |
| Smiles: | Cc1ccc(cc1C)OC(c1c(cnc(n1)S(Cc1ccccc1)(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3888 |
| logD: | 4.3888 |
| logSw: | -4.5372 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.794 |
| InChI Key: | OKNDUKNFPNLCAC-UHFFFAOYSA-N |