5-(3-ethoxy-4-hydroxyphenyl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one
Chemical Structure Depiction of
5-(3-ethoxy-4-hydroxyphenyl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one
5-(3-ethoxy-4-hydroxyphenyl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one
Compound characteristics
| Compound ID: | 8006-7389 |
| Compound Name: | 5-(3-ethoxy-4-hydroxyphenyl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one |
| Molecular Weight: | 413.52 |
| Molecular Formula: | C27 H27 N O3 |
| Smiles: | CCOc1cc(ccc1O)C1C2CC(C)(C)CC(C=2c2c(ccc3ccccc23)N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3313 |
| logD: | 5.33 |
| logSw: | -6.2304 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.69 |
| InChI Key: | ITFDNEWZNXYIKG-SANMLTNESA-N |