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
2-methyl-3-(prop-2-en-1-yl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
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: | C200-1252 |
| Compound Name: | 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: | 260.36 |
| Molecular Formula: | C14 H16 N2 O S |
| Smiles: | CC12CC(c3ccccc3O2)NC(N1CC=C)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.946 |
| logD: | 2.946 |
| logSw: | -3.4083 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 20.7758 |
| InChI Key: | KMAAALXYWHNMAJ-UHFFFAOYSA-N |