10-ethoxy-3-{3-[4-(4-fluorophenyl)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
10-ethoxy-3-{3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
10-ethoxy-3-{3-[4-(4-fluorophenyl)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: | C326-0345 |
| Compound Name: | 10-ethoxy-3-{3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 530.6 |
| Molecular Formula: | C30 H31 F N4 O4 |
| Smiles: | CCOc1cccc2C3CC(C)(N(C(N3)=O)c3cccc(c3)C(N3CCN(CC3)c3ccc(cc3)F)=O)Oc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5585 |
| logD: | 4.5585 |
| logSw: | -4.383 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.88 |
| InChI Key: | CTIJBBARTDXTME-UHFFFAOYSA-N |