5-bromo-4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-ethoxyphenyl acetate
Chemical Structure Depiction of
5-bromo-4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-ethoxyphenyl acetate
5-bromo-4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-ethoxyphenyl acetate
Compound characteristics
| Compound ID: | 8010-6966 |
| Compound Name: | 5-bromo-4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-ethoxyphenyl acetate |
| Molecular Weight: | 534.45 |
| Molecular Formula: | C29 H28 Br N O4 |
| Smiles: | CCOc1cc(C2C3=C(CC(C)(C)CC3=O)c3c(ccc4ccccc34)N2)c(cc1OC(C)=O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8809 |
| logD: | 5.8809 |
| logSw: | -6.877 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.98 |
| InChI Key: | ZUUJCLMNFUDXQQ-NDEPHWFRSA-N |