8-chloro-2-methyl-3-[3-(3-methylpiperidine-1-carbonyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
8-chloro-2-methyl-3-[3-(3-methylpiperidine-1-carbonyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
8-chloro-2-methyl-3-[3-(3-methylpiperidine-1-carbonyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C201-0247 |
| Compound Name: | 8-chloro-2-methyl-3-[3-(3-methylpiperidine-1-carbonyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 439.94 |
| Molecular Formula: | C24 H26 Cl N3 O3 |
| Smiles: | CC1CCCN(C1)C(c1cccc(c1)N1C(NC2CC1(C)Oc1ccc(cc12)[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3153 |
| logD: | 4.3153 |
| logSw: | -4.7263 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.659 |
| InChI Key: | PPLITNGYOAFBFN-UHFFFAOYSA-N |