N-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Chemical Structure Depiction of
N-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
N-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Compound characteristics
| Compound ID: | D578-0215 |
| Compound Name: | N-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide |
| Molecular Weight: | 441.51 |
| Molecular Formula: | C21 H23 N5 O4 S |
| Smiles: | CCNc1nc(C)cc(Nc2ccc(cc2)NS(c2ccc3c(c2)OCCO3)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.9875 |
| logD: | 1.9045 |
| logSw: | -3.3685 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.834 |
| InChI Key: | RSXXKYZDAHSTCB-UHFFFAOYSA-N |