N-{2-[2-methyl-7-(trifluoromethyl)-1H-indol-3-yl]ethyl}-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
Chemical Structure Depiction of
N-{2-[2-methyl-7-(trifluoromethyl)-1H-indol-3-yl]ethyl}-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
N-{2-[2-methyl-7-(trifluoromethyl)-1H-indol-3-yl]ethyl}-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
Compound characteristics
| Compound ID: | 8013-1775 |
| Compound Name: | N-{2-[2-methyl-7-(trifluoromethyl)-1H-indol-3-yl]ethyl}-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide |
| Molecular Weight: | 521.45 |
| Molecular Formula: | C27 H18 F3 N3 O5 |
| Smiles: | Cc1c(CCNC(c2ccc3C(c4ccccc4C(c3c2[N+]([O-])=O)=O)=O)=O)c2cccc(c2[nH]1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 6.1008 |
| logD: | 6.099 |
| logSw: | -5.8271 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.911 |
| InChI Key: | KZJWGEPAJQHHLJ-UHFFFAOYSA-N |