4-(2-{[6-(4-chlorophenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-(2-{[6-(4-chlorophenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl)benzene-1-sulfonamide
4-(2-{[6-(4-chlorophenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | D490-0311 |
| Compound Name: | 4-(2-{[6-(4-chlorophenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl)benzene-1-sulfonamide |
| Molecular Weight: | 459.97 |
| Molecular Formula: | C20 H18 Cl N5 O2 S2 |
| Smiles: | CSc1nc(c2ccc(cc2)[Cl])c(C#N)c(NCCc2ccc(cc2)S(N)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.6146 |
| logD: | 3.6139 |
| logSw: | -4.7715 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.406 |
| InChI Key: | RBMPVDSFDDLZGZ-UHFFFAOYSA-N |