2,2-dimethyl-5-(6-nitro-2H-1,3-benzodioxol-5-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
2,2-dimethyl-5-(6-nitro-2H-1,3-benzodioxol-5-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
2,2-dimethyl-5-(6-nitro-2H-1,3-benzodioxol-5-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 8007-4479 |
| Compound Name: | 2,2-dimethyl-5-(6-nitro-2H-1,3-benzodioxol-5-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 442.47 |
| Molecular Formula: | C26 H22 N2 O5 |
| Smiles: | CC1(C)CC2=C(C(c3cc4c(cc3[N+]([O-])=O)OCO4)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2943 |
| logD: | 5.2943 |
| logSw: | -6.456 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.128 |
| InChI Key: | CETRNPAQZPQUDJ-VWLOTQADSA-N |