3-(3-nitrophenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-(3-nitrophenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)prop-2-enenitrile
3-(3-nitrophenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | G856-0700 |
| Compound Name: | 3-(3-nitrophenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)prop-2-enenitrile |
| Molecular Weight: | 309.33 |
| Molecular Formula: | C16 H15 N5 O2 |
| Smiles: | C1CCc2nnc(C(=C/c3cccc(c3)[N+]([O-])=O)\C#N)n2CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.5142 |
| logD: | 2.5142 |
| logSw: | -2.6227 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 75.7 |
| InChI Key: | RMQNQDLBZOPXTA-LCYFTJDESA-N |