2-(7-nitro-2,1,3-benzoxadiazol-4-yl)-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
2-(7-nitro-2,1,3-benzoxadiazol-4-yl)-1,2,3,4-tetrahydroisoquinoline
2-(7-nitro-2,1,3-benzoxadiazol-4-yl)-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
| Compound ID: | 4061-0047 |
| Compound Name: | 2-(7-nitro-2,1,3-benzoxadiazol-4-yl)-1,2,3,4-tetrahydroisoquinoline |
| Molecular Weight: | 296.28 |
| Molecular Formula: | C15 H12 N4 O3 |
| Smiles: | C1CN(Cc2ccccc12)c1ccc(c2c1non2)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5601 |
| logD: | 3.5601 |
| logSw: | -3.5465 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 72.993 |
| InChI Key: | YJMKHHASBLNKMW-UHFFFAOYSA-N |