5-(3-ethoxy-5-iodo-4-methoxyphenyl)-2,2-dimethyl-2,3,6,12c-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-(3-ethoxy-5-iodo-4-methoxyphenyl)-2,2-dimethyl-2,3,6,12c-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-(3-ethoxy-5-iodo-4-methoxyphenyl)-2,2-dimethyl-2,3,6,12c-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 8008-9069 |
| Compound Name: | 5-(3-ethoxy-5-iodo-4-methoxyphenyl)-2,2-dimethyl-2,3,6,12c-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 553.44 |
| Molecular Formula: | C28 H28 I N O3 |
| Smiles: | CCOc1cc(cc(c1OC)I)C1=C2C(CC(C)(C)CC2=O)c2c(ccc3ccccc23)N1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8067 |
| logD: | 6.7617 |
| logSw: | -6.9473 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.028 |
| InChI Key: | AXGMTEBPTKCBSL-LJQANCHMSA-N |