3-nitro-4-[(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]benzamide
Chemical Structure Depiction of
3-nitro-4-[(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]benzamide
3-nitro-4-[(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]benzamide
Compound characteristics
| Compound ID: | K781-3180 |
| Compound Name: | 3-nitro-4-[(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]benzamide |
| Molecular Weight: | 495.5 |
| Molecular Formula: | C21 H16 F3 N3 O4 S2 |
| Smiles: | C(c1cccs1)NC(CSc1ccc(cc1[N+]([O-])=O)C(Nc1ccccc1C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8102 |
| logD: | 4.809 |
| logSw: | -4.8781 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.931 |
| InChI Key: | LUKCQABQFWDKEN-UHFFFAOYSA-N |