8-chloro-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-chloro-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-chloro-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: | C200-1276 |
| Compound Name: | 8-chloro-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: | 308.83 |
| Molecular Formula: | C15 H17 Cl N2 O S |
| Smiles: | CC1C2c3cc(ccc3OC1(C)N(CC=C)C(N2)=S)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0265 |
| logD: | 4.0265 |
| logSw: | -4.4908 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 21.3736 |
| InChI Key: | RRGHKECXLKPYSB-UHFFFAOYSA-N |