4-methyl-N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-3-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
4-methyl-N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-3-nitrobenzene-1-sulfonamide
4-methyl-N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-3-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | D430-1240 |
| Compound Name: | 4-methyl-N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-3-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 468.53 |
| Molecular Formula: | C22 H24 N6 O4 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)S(Nc1ccc(cc1)Nc1cc(nc(C)n1)N1CCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0281 |
| logD: | 4.5551 |
| logSw: | -4.8297 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.914 |
| InChI Key: | CGSPSJLAIYVVFF-UHFFFAOYSA-N |