3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2,4-dimethylphenyl)-10-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2,4-dimethylphenyl)-10-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2,4-dimethylphenyl)-10-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-2098 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2,4-dimethylphenyl)-10-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 531.63 |
| Molecular Formula: | C29 H29 N3 O5 S |
| Smiles: | Cc1ccc(c(C)c1)NC(C1C2c3cccc(c3OC1(C)N(Cc1ccc3c(c1)OCO3)C(N2)=S)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6424 |
| logD: | 5.6422 |
| logSw: | -5.293 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.947 |
| InChI Key: | AAWRDIRQBTZOEU-UHFFFAOYSA-N |