4-cyanophenyl 5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
Chemical Structure Depiction of
4-cyanophenyl 5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
4-cyanophenyl 5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D650-0108 |
| Compound Name: | 4-cyanophenyl 5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate |
| Molecular Weight: | 427.86 |
| Molecular Formula: | C20 H14 Cl N3 O4 S |
| Smiles: | Cc1ccc(CS(c2ncc(c(C(=O)Oc3ccc(C#N)cc3)n2)[Cl])(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5163 |
| logD: | 3.5163 |
| logSw: | -4.0034 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 85.85 |
| InChI Key: | BTKYRFCWCMPVRI-UHFFFAOYSA-N |