3-(4-{[(4-methoxyphenyl)methyl]amino}-3-nitrobenzoyl)-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-{[(4-methoxyphenyl)methyl]amino}-3-nitrobenzoyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-(4-{[(4-methoxyphenyl)methyl]amino}-3-nitrobenzoyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | K781-0351 |
| Compound Name: | 3-(4-{[(4-methoxyphenyl)methyl]amino}-3-nitrobenzoyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 474.52 |
| Molecular Formula: | C26 H26 N4 O5 |
| Smiles: | COc1ccc(CNc2ccc(cc2[N+]([O-])=O)C(N2CC3CC(C2)C2=CC=CC(N2C3)=O)=O)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4388 |
| logD: | 3.4388 |
| logSw: | -3.8785 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.747 |
| InChI Key: | ITZTZHRWIBQFHQ-UHFFFAOYSA-N |