prop-2-en-1-yl 2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
prop-2-en-1-yl 2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Compound characteristics
| Compound ID: | K272-1652 |
| Compound Name: | prop-2-en-1-yl 2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate |
| Molecular Weight: | 304.37 |
| Molecular Formula: | C15 H16 N2 O3 S |
| Smiles: | CC12C(C(c3ccccc3O2)NC(N1)=S)C(=O)OCC=C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4931 |
| logD: | 2.4931 |
| logSw: | -2.8764 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.581 |
| InChI Key: | WZXROYMXQRFDIR-UHFFFAOYSA-N |