N-{2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-{2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
N-{2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 8013-4065 |
| Compound Name: | N-{2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 475.38 |
| Molecular Formula: | C22 H16 F3 N3 O6 |
| Smiles: | Cc1c(CCNC(C2=Cc3cc(ccc3OC2=O)[N+]([O-])=O)=O)c2cc(ccc2[nH]1)OC(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.1808 |
| logD: | 4.1807 |
| logSw: | -4.5381 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.659 |
| InChI Key: | UOHOXSPUYUHTRZ-UHFFFAOYSA-N |