8-chloro-3-[4-(3,4-dihydroquinoline-1(2H)-carbonyl)phenyl]-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
8-chloro-3-[4-(3,4-dihydroquinoline-1(2H)-carbonyl)phenyl]-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
8-chloro-3-[4-(3,4-dihydroquinoline-1(2H)-carbonyl)phenyl]-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C432-0315 |
| Compound Name: | 8-chloro-3-[4-(3,4-dihydroquinoline-1(2H)-carbonyl)phenyl]-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 473.96 |
| Molecular Formula: | C27 H24 Cl N3 O3 |
| Smiles: | CC12CC(c3cc(ccc3O2)[Cl])NC(N1c1ccc(cc1)C(N1CCCc2ccccc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3571 |
| logD: | 5.3571 |
| logSw: | -5.7752 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.39 |
| InChI Key: | PVTFUZFUKFGWDR-UHFFFAOYSA-N |