5-[4-(4-benzylpiperidin-1-yl)-3-nitrophenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-[4-(4-benzylpiperidin-1-yl)-3-nitrophenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-[4-(4-benzylpiperidin-1-yl)-3-nitrophenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 8009-4190 |
| Compound Name: | 5-[4-(4-benzylpiperidin-1-yl)-3-nitrophenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 571.72 |
| Molecular Formula: | C37 H37 N3 O3 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c(c3)[N+]([O-])=O)N3CCC(CC3)Cc3ccccc3)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.4069 |
| logD: | 8.4069 |
| logSw: | -6.9068 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.892 |
| InChI Key: | GLRWJYMPXPOFQD-BHVANESWSA-N |