3-[4-(4-cyclohexylpiperazine-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-[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
3-[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C432-0078 |
| Compound Name: | 3-[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 474.6 |
| Molecular Formula: | C28 H34 N4 O3 |
| Smiles: | CC12CC(c3ccccc3O2)NC(N1c1ccc(cc1)C(N1CCN(CC1)C1CCCCC1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9506 |
| logD: | 3.7883 |
| logSw: | -3.9967 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.819 |
| InChI Key: | SUXKRVWJWYSPMA-UHFFFAOYSA-N |