10-ethoxy-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
10-ethoxy-2-methyl-3-(prop-2-en-1-yl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
10-ethoxy-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: | C200-1269 |
| Compound Name: | 10-ethoxy-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: | 304.41 |
| Molecular Formula: | C16 H20 N2 O2 S |
| Smiles: | CCOc1cccc2C3CC(C)(N(CC=C)C(N3)=S)Oc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3949 |
| logD: | 3.3949 |
| logSw: | -3.6514 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.6703 |
| InChI Key: | IYBWRIDGXYXIOH-UHFFFAOYSA-N |