3-[3-(1H-indol-1-yl)propanoyl]-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
3-[3-(1H-indol-1-yl)propanoyl]-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-[3-(1H-indol-1-yl)propanoyl]-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | Y043-8014 |
| Compound Name: | 3-[3-(1H-indol-1-yl)propanoyl]-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 406.44 |
| Molecular Formula: | C22 H22 N4 O4 |
| Smiles: | C(Cn1ccc2ccccc12)C(N1CC2C[C@@H](C1)CN1C2=CC=C(C1=O)[N+]([O-])=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.2292 |
| logD: | 3.2292 |
| logSw: | -3.1272 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.978 |
| InChI Key: | SUEASGXTWMXEDA-LDCVWXEPSA-N |