[4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenoxy]acetonitrile
Chemical Structure Depiction of
[4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenoxy]acetonitrile
[4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenoxy]acetonitrile
Compound characteristics
| Compound ID: | 2367-1218 |
| Compound Name: | [4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenoxy]acetonitrile |
| Molecular Weight: | 438.53 |
| Molecular Formula: | C28 H26 N2 O3 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c(c3)OC)OCC#N)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7253 |
| logD: | 4.7253 |
| logSw: | -5.6291 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.558 |
| InChI Key: | ITBXDBVCFSZDFC-MHZLTWQESA-N |