3-phenyl-1H-4,1,2-benzoxadiazine-6,7-dicarbonitrile
Chemical Structure Depiction of
3-phenyl-1H-4,1,2-benzoxadiazine-6,7-dicarbonitrile
3-phenyl-1H-4,1,2-benzoxadiazine-6,7-dicarbonitrile
Compound characteristics
| Compound ID: | 8016-5852 |
| Compound Name: | 3-phenyl-1H-4,1,2-benzoxadiazine-6,7-dicarbonitrile |
| Molecular Weight: | 260.25 |
| Molecular Formula: | C15 H8 N4 O |
| Smiles: | C(c1cc2c(cc1C#N)OC(c1ccccc1)=NN2)#N |
| Stereo: | ACHIRAL |
| logP: | 3.3178 |
| logD: | 3.3177 |
| logSw: | -3.8134 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.301 |
| InChI Key: | BIUFYTDLNHEFNX-UHFFFAOYSA-N |