8-bromo-3-(3-methoxypropyl)-2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
8-bromo-3-(3-methoxypropyl)-2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
8-bromo-3-(3-methoxypropyl)-2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | C200-1380 |
| Compound Name: | 8-bromo-3-(3-methoxypropyl)-2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 385.32 |
| Molecular Formula: | C16 H21 Br N2 O2 S |
| Smiles: | CC1C2c3cc(ccc3OC1(C)N(CCCOC)C(N2)=S)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8623 |
| logD: | 3.8623 |
| logSw: | -4.0346 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.716 |
| InChI Key: | CVEVPASCNQHMQA-UHFFFAOYSA-N |