3-(3-{1-[2-(dimethylamino)ethyl]-1H-benzotriazol-5-yl}-1,2,4-oxadiazol-5-yl)benzonitrile
Chemical Structure Depiction of
3-(3-{1-[2-(dimethylamino)ethyl]-1H-benzotriazol-5-yl}-1,2,4-oxadiazol-5-yl)benzonitrile
3-(3-{1-[2-(dimethylamino)ethyl]-1H-benzotriazol-5-yl}-1,2,4-oxadiazol-5-yl)benzonitrile
Compound characteristics
| Compound ID: | P766-0049 |
| Compound Name: | 3-(3-{1-[2-(dimethylamino)ethyl]-1H-benzotriazol-5-yl}-1,2,4-oxadiazol-5-yl)benzonitrile |
| Molecular Weight: | 359.39 |
| Molecular Formula: | C19 H17 N7 O |
| Smiles: | CN(C)CCn1c2ccc(cc2nn1)c1nc(c2cccc(C#N)c2)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.7334 |
| logD: | 2.332 |
| logSw: | -2.9679 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 78.242 |
| InChI Key: | IHCKSOIXSPLRDA-UHFFFAOYSA-N |