4-(2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-(2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl)benzene-1-sulfonamide
4-(2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | D490-0389 |
| Compound Name: | 4-(2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl)benzene-1-sulfonamide |
| Molecular Weight: | 439.56 |
| Molecular Formula: | C21 H21 N5 O2 S2 |
| Smiles: | Cc1ccc(cc1)c1c(C#N)c(NCCc2ccc(cc2)S(N)(=O)=O)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 3.4432 |
| logD: | 3.4425 |
| logSw: | -4.0429 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.406 |
| InChI Key: | XYBPAVWEOIOPEP-UHFFFAOYSA-N |