N-{2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}-2-nitro-4-(trifluoromethyl)aniline
Chemical Structure Depiction of
N-{2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}-2-nitro-4-(trifluoromethyl)aniline
N-{2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}-2-nitro-4-(trifluoromethyl)aniline
Compound characteristics
| Compound ID: | 8014-8780 |
| Compound Name: | N-{2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}-2-nitro-4-(trifluoromethyl)aniline |
| Molecular Weight: | 447.34 |
| Molecular Formula: | C19 H15 F6 N3 O3 |
| Smiles: | Cc1c(CCNc2ccc(cc2[N+]([O-])=O)C(F)(F)F)c2cc(ccc2[nH]1)OC(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 6.182 |
| logD: | 6.182 |
| logSw: | -5.7684 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.56 |
| InChI Key: | HVUMVUGABPEHJO-UHFFFAOYSA-N |