prop-2-en-1-yl 3-[2-(3,4-dimethoxyphenyl)ethyl]-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 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
prop-2-en-1-yl 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Compound characteristics
| Compound ID: | K272-1675 |
| Compound Name: | prop-2-en-1-yl 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate |
| Molecular Weight: | 468.57 |
| Molecular Formula: | C25 H28 N2 O5 S |
| Smiles: | CC12C(C(c3ccccc3O2)NC(N1CCc1ccc(c(c1)OC)OC)=S)C(=O)OCC=C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2375 |
| logD: | 4.2375 |
| logSw: | -4.3231 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.411 |
| InChI Key: | NSXUTSUQIRMJOO-UHFFFAOYSA-N |