3-{2-amino-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
3-{2-amino-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-{2-amino-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | K781-1951 |
| Compound Name: | 3-{2-amino-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 504.03 |
| Molecular Formula: | C28 H30 Cl N5 O2 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1N)C(N1CCN(CC1)c1cccc(c1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7855 |
| logD: | 3.7853 |
| logSw: | -4.3378 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.093 |
| InChI Key: | DSYDNHSCHUUQCA-UHFFFAOYSA-N |