3-(4-fluorophenyl)-8-methoxy-N-(4-methoxyphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
3-(4-fluorophenyl)-8-methoxy-N-(4-methoxyphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
3-(4-fluorophenyl)-8-methoxy-N-(4-methoxyphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-1054 |
| Compound Name: | 3-(4-fluorophenyl)-8-methoxy-N-(4-methoxyphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 493.56 |
| Molecular Formula: | C26 H24 F N3 O4 S |
| Smiles: | CC12C(C(c3cc(ccc3O2)OC)NC(N1c1ccc(cc1)F)=S)C(Nc1ccc(cc1)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6433 |
| logD: | 4.6425 |
| logSw: | -4.6172 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.691 |
| InChI Key: | NIMKCDJXHWWIOE-UHFFFAOYSA-N |