6-hydroxy-2,3,6,7-tetrahydro-1H,5H-2,5-epoxy-1,6-methano[1,5]oxazonino[5,6-a]benzimidazole-7-carbonitrile
Chemical Structure Depiction of
6-hydroxy-2,3,6,7-tetrahydro-1H,5H-2,5-epoxy-1,6-methano[1,5]oxazonino[5,6-a]benzimidazole-7-carbonitrile
6-hydroxy-2,3,6,7-tetrahydro-1H,5H-2,5-epoxy-1,6-methano[1,5]oxazonino[5,6-a]benzimidazole-7-carbonitrile
Compound characteristics
| Compound ID: | 8013-1127 |
| Compound Name: | 6-hydroxy-2,3,6,7-tetrahydro-1H,5H-2,5-epoxy-1,6-methano[1,5]oxazonino[5,6-a]benzimidazole-7-carbonitrile |
| Molecular Weight: | 283.28 |
| Molecular Formula: | C15 H13 N3 O3 |
| Smiles: | C1C2C3COC(C1(C(C#N)c1nc4ccccc4n12)O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.9419 |
| logD: | 0.9419 |
| logSw: | -1.3048 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.55 |
| InChI Key: | RGSXMPATGNQVID-UHFFFAOYSA-N |