3-(4-{[2-(4-chlorophenyl)ethyl]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-{[2-(4-chlorophenyl)ethyl]amino}-3-nitrobenzoyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-(4-{[2-(4-chlorophenyl)ethyl]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: | K781-0599 |
| Compound Name: | 3-(4-{[2-(4-chlorophenyl)ethyl]amino}-3-nitrobenzoyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 492.96 |
| Molecular Formula: | C26 H25 Cl N4 O4 |
| Smiles: | C(CNc1ccc(cc1[N+]([O-])=O)C(N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2705 |
| logD: | 4.2705 |
| logSw: | -4.6915 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.044 |
| InChI Key: | FJDZUZGLHBJKDB-UHFFFAOYSA-N |