5-(3-{[4-methoxy-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy}phenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-(3-{[4-methoxy-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy}phenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-(3-{[4-methoxy-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy}phenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 3277-0059 |
| Compound Name: | 5-(3-{[4-methoxy-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy}phenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 561.68 |
| Molecular Formula: | C34 H35 N5 O3 |
| Smiles: | CC1(C)CC2=C(C(c3cccc(c3)Oc3nc(nc(n3)OC)N3CCCCC3)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.6294 |
| logD: | 7.6294 |
| logSw: | -6.8765 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.071 |
| InChI Key: | XHKFZNXFXFMHBF-PMERELPUSA-N |