3-[4-(1H-indol-3-yl)butanoyl]-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-[4-(1H-indol-3-yl)butanoyl]-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-[4-(1H-indol-3-yl)butanoyl]-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: | Y043-8030 |
| Compound Name: | 3-[4-(1H-indol-3-yl)butanoyl]-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 420.47 |
| Molecular Formula: | C23 H24 N4 O4 |
| Smiles: | C(CC(N1C[C@@H]2C[C@H](C1)C1=CC=C(C(N1C2)=O)[N+]([O-])=O)=O)Cc1c[nH]c2ccccc12 |
| Stereo: | ABSOLUTE |
| logP: | 3.2981 |
| logD: | 3.2981 |
| logSw: | -3.3987 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.76 |
| InChI Key: | YGJWDWMXPPFGRP-RDJZCZTQSA-N |