5-{3-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-{3-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-{3-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 2367-1217 |
| Compound Name: | 5-{3-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 538.04 |
| Molecular Formula: | C33 H28 Cl N O4 |
| Smiles: | CC1(C)CC2=C(C(c3cccc(c3)OCc3cc4c(cc3[Cl])OCO4)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.5363 |
| logD: | 7.5363 |
| logSw: | -6.8466 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.275 |
| InChI Key: | GVBIUUDDHQNRCC-YTTGMZPUSA-N |