3-(4-methylphenyl)-1H-4,1,2-benzoxadiazine-6,7-dicarbonitrile
Chemical Structure Depiction of
3-(4-methylphenyl)-1H-4,1,2-benzoxadiazine-6,7-dicarbonitrile
3-(4-methylphenyl)-1H-4,1,2-benzoxadiazine-6,7-dicarbonitrile
Compound characteristics
| Compound ID: | 8017-7636 |
| Compound Name: | 3-(4-methylphenyl)-1H-4,1,2-benzoxadiazine-6,7-dicarbonitrile |
| Molecular Weight: | 274.28 |
| Molecular Formula: | C16 H10 N4 O |
| Smiles: | Cc1ccc(cc1)C1=NNc2cc(C#N)c(C#N)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 3.8462 |
| logD: | 3.8459 |
| logSw: | -3.9989 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.301 |
| InChI Key: | MZRAYDMBYJKBEK-UHFFFAOYSA-N |