5-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 2367-1296 |
| Compound Name: | 5-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 441.57 |
| Molecular Formula: | C29 H31 N O3 |
| Smiles: | CC(C)Oc1ccc(cc1OC)C1C2=C(CC(C)(C)CC2=O)c2c(ccc3ccccc23)N1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9813 |
| logD: | 5.9813 |
| logSw: | -6.9693 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.451 |
| InChI Key: | LALRTYWBIYNSER-NDEPHWFRSA-N |