4-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide
Chemical Structure Depiction of
4-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide
4-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide
Compound characteristics
| Compound ID: | K781-3183 |
| Compound Name: | 4-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide |
| Molecular Weight: | 479.43 |
| Molecular Formula: | C21 H16 F3 N3 O5 S |
| Smiles: | C(c1ccco1)NC(CSc1ccc(cc1[N+]([O-])=O)C(Nc1ccccc1C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5858 |
| logD: | 4.5846 |
| logSw: | -4.624 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.661 |
| InChI Key: | GVKSVEQLDLEHKK-UHFFFAOYSA-N |