3-{3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
3-{3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
3-{3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C326-0085 |
| Compound Name: | 3-{3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 517.03 |
| Molecular Formula: | C29 H29 Cl N4 O3 |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(c1cccc(c1)N1C(NC2CC1(C)Oc1ccccc12)=O)=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2415 |
| logD: | 5.2415 |
| logSw: | -5.7068 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.685 |
| InChI Key: | RWYAULGODRVVKU-UHFFFAOYSA-N |