8-bromo-2,11-dimethyl-3-(prop-2-en-1-yl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
8-bromo-2,11-dimethyl-3-(prop-2-en-1-yl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
8-bromo-2,11-dimethyl-3-(prop-2-en-1-yl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | C200-1274 |
| Compound Name: | 8-bromo-2,11-dimethyl-3-(prop-2-en-1-yl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 353.28 |
| Molecular Formula: | C15 H17 Br N2 O S |
| Smiles: | CC1C2c3cc(ccc3OC1(C)N(CC=C)C(N2)=S)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.154 |
| logD: | 4.154 |
| logSw: | -4.3436 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 21.3736 |
| InChI Key: | XLYHITJOWOETTH-UHFFFAOYSA-N |