5-{3-iodo-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-{3-iodo-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-{3-iodo-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 1809-0299 |
| Compound Name: | 5-{3-iodo-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 563.43 |
| Molecular Formula: | C29 H26 I N O3 |
| Smiles: | CC1(C)CC2=C(C(c3cc(c(c(c3)I)OCC#C)OC)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5778 |
| logD: | 6.5778 |
| logSw: | -7.0098 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.153 |
| InChI Key: | LOYIFOXPKOBEAP-MHZLTWQESA-N |