N-(4-{[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Chemical Structure Depiction of
N-(4-{[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
N-(4-{[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Compound characteristics
| Compound ID: | D640-0090 |
| Compound Name: | N-(4-{[6-(cyclohexylamino)-2-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: | Cc1nc(cc(Nc2ccc(cc2)NS(c2ccc3c(c2)OCCO3)(=O)=O)n1)NC1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.2279 |
| logD: | 4.0248 |
| logSw: | -4.2757 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.902 |
| InChI Key: | MJKSPCCPNUMMOE-UHFFFAOYSA-N |