3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2,4-dimethylphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2,4-dimethylphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2,4-dimethylphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-1242 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2,4-dimethylphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 531.67 |
| Molecular Formula: | C30 H33 N3 O4 S |
| Smiles: | Cc1ccc(c(C)c1)NC(C1C2c3ccccc3OC1(C)N(CCc1ccc(c(c1)OC)OC)C(N2)=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4559 |
| logD: | 5.4556 |
| logSw: | -5.2799 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.756 |
| InChI Key: | UTQJLYQTNVYISU-UHFFFAOYSA-N |