3-(but-2-ynoyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
3-(but-2-ynoyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-(but-2-ynoyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | T001-1159 |
| Compound Name: | 3-(but-2-ynoyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 256.3 |
| Molecular Formula: | C15 H16 N2 O2 |
| Smiles: | CC#CC(N1C[C@@H]2C[C@H](C1)CN1C2=CC=CC1=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.8744 |
| logD: | 1.8744 |
| logSw: | -1.7516 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.33 |
| InChI Key: | PGGHLDKJRRBOQT-NEPJUHHUSA-N |