2,2-dimethyl-5-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
2,2-dimethyl-5-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
2,2-dimethyl-5-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 2897-1825 |
| Compound Name: | 2,2-dimethyl-5-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 510.61 |
| Molecular Formula: | C29 H26 N4 O3 S |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c(c3)[N+]([O-])=O)Sc3nccn3C)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.19 |
| logD: | 6.1867 |
| logSw: | -6.4205 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.66 |
| InChI Key: | SUSIEWGTEPTQLL-MHZLTWQESA-N |