8-methoxy-N,N,2-trimethyl-3-(4-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
8-methoxy-N,N,2-trimethyl-3-(4-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
8-methoxy-N,N,2-trimethyl-3-(4-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-1507 |
| Compound Name: | 8-methoxy-N,N,2-trimethyl-3-(4-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C22 H25 N3 O3 S |
| Smiles: | Cc1ccc(cc1)N1C(NC2C(C(N(C)C)=O)C1(C)Oc1ccc(cc12)OC)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0904 |
| logD: | 3.0904 |
| logSw: | -3.4914 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.056 |
| InChI Key: | QGHHYCSCIGCUDF-UHFFFAOYSA-N |