ethyl 5-{[2-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)-8-nitro-10H-imidazo[1',2':2,3][1,2,4]triazino[5,6-b]indol-10-yl]methyl}furan-2-carboxylate
Chemical Structure Depiction of
ethyl 5-{[2-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)-8-nitro-10H-imidazo[1',2':2,3][1,2,4]triazino[5,6-b]indol-10-yl]methyl}furan-2-carboxylate
ethyl 5-{[2-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)-8-nitro-10H-imidazo[1',2':2,3][1,2,4]triazino[5,6-b]indol-10-yl]methyl}furan-2-carboxylate
Compound characteristics
| Compound ID: | K216-0094 |
| Compound Name: | ethyl 5-{[2-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)-8-nitro-10H-imidazo[1',2':2,3][1,2,4]triazino[5,6-b]indol-10-yl]methyl}furan-2-carboxylate |
| Molecular Weight: | 606.68 |
| Molecular Formula: | C34 H34 N6 O5 |
| Smiles: | CCOC(c1ccc(Cn2c3cc(ccc3c3c2nc2nc(cn2n3)c2cc(cc3c2CCC3(C)C)C(C)(C)C)[N+]([O-])=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 8.5097 |
| logD: | 8.5097 |
| logSw: | -5.6936 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 94.289 |
| InChI Key: | QQNACQJFDHMKRW-UHFFFAOYSA-N |