3-(1-methyl-1H-indazole-3-carbonyl)-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-(1-methyl-1H-indazole-3-carbonyl)-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-(1-methyl-1H-indazole-3-carbonyl)-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: | Y043-8019 |
| Compound Name: | 3-(1-methyl-1H-indazole-3-carbonyl)-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 393.4 |
| Molecular Formula: | C20 H19 N5 O4 |
| Smiles: | Cn1c2ccccc2c(C(N2CC3C[C@@H](C2)CN2C3=CC=C(C2=O)[N+]([O-])=O)=O)n1 |
| Stereo: | ABSOLUTE |
| logP: | 2.1125 |
| logD: | 2.1125 |
| logSw: | -2.4083 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.952 |
| InChI Key: | OMAYVLKBSWCNHC-PZORYLMUSA-N |