N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-2-methoxy-5-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-2-methoxy-5-methylbenzene-1-sulfonamide
N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-2-methoxy-5-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | D578-0297 |
| Compound Name: | N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-2-methoxy-5-methylbenzene-1-sulfonamide |
| Molecular Weight: | 481.62 |
| Molecular Formula: | C25 H31 N5 O3 S |
| Smiles: | Cc1ccc(c(c1)S(Nc1ccc(cc1)Nc1cc(C)nc(NC2CCCCC2)n1)(=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.7405 |
| logD: | 5.4919 |
| logSw: | -5.3497 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.47 |
| InChI Key: | XPTBVLYDQWUMCG-UHFFFAOYSA-N |