8-bromo-3-(3-methoxyphenyl)-N,N,2-trimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
8-bromo-3-(3-methoxyphenyl)-N,N,2-trimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
8-bromo-3-(3-methoxyphenyl)-N,N,2-trimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-1483 |
| Compound Name: | 8-bromo-3-(3-methoxyphenyl)-N,N,2-trimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 476.39 |
| Molecular Formula: | C21 H22 Br N3 O3 S |
| Smiles: | CC12C(C(c3cc(ccc3O2)[Br])NC(N1c1cccc(c1)OC)=S)C(N(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5657 |
| logD: | 3.5657 |
| logSw: | -3.9906 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.056 |
| InChI Key: | ISIFJLBGKYJPFD-UHFFFAOYSA-N |