5-{3-methoxy-4-[(4-methylphenyl)methoxy]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-{3-methoxy-4-[(4-methylphenyl)methoxy]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-{3-methoxy-4-[(4-methylphenyl)methoxy]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 2038-0038 |
| Compound Name: | 5-{3-methoxy-4-[(4-methylphenyl)methoxy]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 503.64 |
| Molecular Formula: | C34 H33 N O3 |
| Smiles: | Cc1ccc(COc2ccc(cc2OC)C2C3=C(CC(C)(C)CC3=O)c3c(ccc4ccccc34)N2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.2285 |
| logD: | 7.2285 |
| logSw: | -7.0438 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.876 |
| InChI Key: | ILVNRGXCMXOAAW-XIFFEERXSA-N |