8-bromo-3-(3-chloro-4-methylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
8-bromo-3-(3-chloro-4-methylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
8-bromo-3-(3-chloro-4-methylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C269-0101 |
| Compound Name: | 8-bromo-3-(3-chloro-4-methylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 407.69 |
| Molecular Formula: | C18 H16 Br Cl N2 O2 |
| Smiles: | Cc1ccc(cc1[Cl])N1C(NC2CC1(C)Oc1ccc(cc12)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.42 |
| logD: | 5.42 |
| logSw: | -5.9379 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.077 |
| InChI Key: | RZMMPZZXLPUQFJ-UHFFFAOYSA-N |