N-(4-{[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Chemical Structure Depiction of
N-(4-{[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
N-(4-{[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Compound characteristics
| Compound ID: | D430-1215 |
| Compound Name: | N-(4-{[6-(dimethylamino)-2-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: | Cc1nc(cc(n1)N(C)C)Nc1ccc(cc1)NS(c1ccc2c(c1)OCCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8422 |
| logD: | 1.5853 |
| logSw: | -3.427 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.643 |
| InChI Key: | GSMKFWTXFGEVRT-UHFFFAOYSA-N |