3-[3-(1-methyl-1H-indol-3-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-(1-methyl-1H-indol-3-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-(1-methyl-1H-indol-3-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: | Y044-5593 |
| Compound Name: | 3-[3-(1-methyl-1H-indol-3-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: | 420.47 |
| Molecular Formula: | C23 H24 N4 O4 |
| Smiles: | Cn1cc(CCC(N2CC3C[C@@H](C2)CN2C3=CC=C(C2=O)[N+]([O-])=O)=O)c2ccccc12 |
| Stereo: | ABSOLUTE |
| logP: | 3.1249 |
| logD: | 3.1249 |
| logSw: | -3.1579 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.448 |
| InChI Key: | NYGBFXZMBFEPAN-LDCVWXEPSA-N |