2-methyl-3-{4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
2-methyl-3-{4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
2-methyl-3-{4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
Compound ID: | C432-0068 |
Compound Name: | 2-methyl-3-{4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
Molecular Weight: | 496.61 |
Molecular Formula: | C30 H32 N4 O3 |
Smiles: | CC1CN(CCN1c1cccc(C)c1)C(c1ccc(cc1)N1C(NC2CC1(C)Oc1ccccc12)=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.8087 |
logD: | 4.8087 |
logSw: | -4.6185 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 52.204 |
InChI Key: | OVQIQDNIORSUJN-UHFFFAOYSA-N |