8-bromo-2-methyl-3-(4-methylphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
8-bromo-2-methyl-3-(4-methylphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
8-bromo-2-methyl-3-(4-methylphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C200-0221 |
| Compound Name: | 8-bromo-2-methyl-3-(4-methylphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 373.25 |
| Molecular Formula: | C18 H17 Br N2 O2 |
| Smiles: | Cc1ccc(cc1)N1C(NC2CC1(C)Oc1ccc(cc12)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5886 |
| logD: | 4.5886 |
| logSw: | -4.506 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.077 |
| InChI Key: | HZIHNGNMMJBILH-UHFFFAOYSA-N |