2,2-dimethyl-5-(4-methyl-3-nitrophenyl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
2,2-dimethyl-5-(4-methyl-3-nitrophenyl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
2,2-dimethyl-5-(4-methyl-3-nitrophenyl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 2144-1005 |
| Compound Name: | 2,2-dimethyl-5-(4-methyl-3-nitrophenyl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 412.49 |
| Molecular Formula: | C26 H24 N2 O3 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C1C2=C(CC(C)(C)CC2=O)c2c(ccc3ccccc23)N1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0028 |
| logD: | 6.0028 |
| logSw: | -6.7806 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.012 |
| InChI Key: | UHSLBYVSVQRGIY-VWLOTQADSA-N |