8-chloro-2-methyl-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-methyl-3-(prop-2-en-1-yl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
8-chloro-2-methyl-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: | C200-1253 |
| Compound Name: | 8-chloro-2-methyl-3-(prop-2-en-1-yl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 294.8 |
| Molecular Formula: | C14 H15 Cl N2 O S |
| Smiles: | CC12CC(c3cc(ccc3O2)[Cl])NC(N1CC=C)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6022 |
| logD: | 3.6022 |
| logSw: | -4.1244 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 20.7758 |
| InChI Key: | UWYUHGUDOYOGOE-UHFFFAOYSA-N |