N-{2-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]ethyl}-3-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
N-{2-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]ethyl}-3-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxamide
N-{2-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]ethyl}-3-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | 8018-6929 |
| Compound Name: | N-{2-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]ethyl}-3-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 526.43 |
| Molecular Formula: | C24 H17 F3 N6 O5 |
| Smiles: | C(CNC(c1nc(Cn2c3ccccc3nc2C(F)(F)F)no1)=O)NC(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1612 |
| logD: | 2.1612 |
| logSw: | -2.8065 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.809 |
| InChI Key: | KPJOBKOSMSSIKZ-UHFFFAOYSA-N |