4-(1H-benzotriazol-1-yl)-5-(2,6-dimethylphenoxy)benzene-1,2-dicarbonitrile
Chemical Structure Depiction of
4-(1H-benzotriazol-1-yl)-5-(2,6-dimethylphenoxy)benzene-1,2-dicarbonitrile
4-(1H-benzotriazol-1-yl)-5-(2,6-dimethylphenoxy)benzene-1,2-dicarbonitrile
Compound characteristics
| Compound ID: | 8016-4110 |
| Compound Name: | 4-(1H-benzotriazol-1-yl)-5-(2,6-dimethylphenoxy)benzene-1,2-dicarbonitrile |
| Molecular Weight: | 365.39 |
| Molecular Formula: | C22 H15 N5 O |
| Smiles: | Cc1cccc(C)c1Oc1cc(C#N)c(C#N)cc1n1c2ccccc2nn1 |
| Stereo: | ACHIRAL |
| logP: | 4.7564 |
| logD: | 4.7564 |
| logSw: | -4.7437 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 66.62 |
| InChI Key: | JMOPZJPFNXBCGV-UHFFFAOYSA-N |