8-bromo-2-methyl-3-{3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
8-bromo-2-methyl-3-{3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
8-bromo-2-methyl-3-{3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C326-0435 |
| Compound Name: | 8-bromo-2-methyl-3-{3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 549.43 |
| Molecular Formula: | C26 H25 Br N6 O3 |
| Smiles: | CC12CC(c3cc(ccc3O2)[Br])NC(N1c1cccc(c1)C(N1CCN(CC1)c1ncccn1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9073 |
| logD: | 3.9073 |
| logSw: | -4.0806 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.348 |
| InChI Key: | UPFADJQMZIDYET-UHFFFAOYSA-N |