8-bromo-2,11-dimethyl-3-(2-phenylethyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
8-bromo-2,11-dimethyl-3-(2-phenylethyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
8-bromo-2,11-dimethyl-3-(2-phenylethyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C200-1315F |
| Compound Name: | 8-bromo-2,11-dimethyl-3-(2-phenylethyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 401.3 |
| Molecular Formula: | C20 H21 Br N2 O2 |
| Smiles: | CC1C2c3cc(ccc3OC1(C)N(CCc1ccccc1)C(N2)=O)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9375 |
| logD: | 4.9375 |
| logSw: | -4.6645 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.264 |
| InChI Key: | MTQWBMXRNYRODV-UHFFFAOYSA-N |