3-(4-{[(4-chlorophenyl)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-chlorophenyl)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-chlorophenyl)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: | K781-0116 |
| Compound Name: | 3-(4-{[(4-chlorophenyl)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: | 478.93 |
| Molecular Formula: | C25 H23 Cl N4 O4 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)C(c1ccc(c(c1)[N+]([O-])=O)NCc1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0512 |
| logD: | 4.0512 |
| logSw: | -4.5716 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.203 |
| InChI Key: | PRDBEQJPTTYHFC-UHFFFAOYSA-N |