N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Chemical Structure Depiction of
N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Compound characteristics
| Compound ID: | D578-0301 |
| Compound Name: | N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide |
| Molecular Weight: | 495.6 |
| Molecular Formula: | C25 H29 N5 O4 S |
| Smiles: | Cc1cc(Nc2ccc(cc2)NS(c2ccc3c(c2)OCCO3)(=O)=O)nc(NC2CCCCC2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.4632 |
| logD: | 4.2273 |
| logSw: | -4.2972 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.662 |
| InChI Key: | UKWTZYRPCKKGGG-UHFFFAOYSA-N |