5-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 8009-0392 |
| Compound Name: | 5-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 492.41 |
| Molecular Formula: | C27 H26 Br N O3 |
| Smiles: | CCOc1cc(cc(c1O)[Br])C1C2=C(CC(C)(C)CC2=O)c2c(ccc3ccccc23)N1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2485 |
| logD: | 6.2265 |
| logSw: | -6.4946 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.621 |
| InChI Key: | WWJGKKZMQXWLCR-VWLOTQADSA-N |