N-(4-{[6-(diethylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Chemical Structure Depiction of
N-(4-{[6-(diethylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
N-(4-{[6-(diethylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Compound characteristics
| Compound ID: | D571-0047 |
| Compound Name: | N-(4-{[6-(diethylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C23 H27 N5 O4 S |
| Smiles: | CCN(CC)c1cc(Nc2ccc(cc2)NS(c2ccc3c(c2)OCCO3)(=O)=O)nc(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.6648 |
| logD: | 2.3715 |
| logSw: | -3.8382 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.575 |
| InChI Key: | ARYPLFYTPRBLKT-UHFFFAOYSA-N |