3-{3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl}-2,8-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
3-{3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl}-2,8-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
3-{3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl}-2,8-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C326-0390 |
| Compound Name: | 3-{3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl}-2,8-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 510.64 |
| Molecular Formula: | C31 H34 N4 O3 |
| Smiles: | Cc1ccc2c(c1)C1CC(C)(N(C(N1)=O)c1cccc(c1)C(N1CCN(CC1)c1cccc(C)c1C)=O)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4823 |
| logD: | 5.4823 |
| logSw: | -5.486 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.685 |
| InChI Key: | WPJXKPHNPNRTLY-UHFFFAOYSA-N |