3-(4-bromophenyl)-N,N,2,8-tetramethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
3-(4-bromophenyl)-N,N,2,8-tetramethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
3-(4-bromophenyl)-N,N,2,8-tetramethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-1530 |
| Compound Name: | 3-(4-bromophenyl)-N,N,2,8-tetramethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 460.39 |
| Molecular Formula: | C21 H22 Br N3 O2 S |
| Smiles: | Cc1ccc2c(c1)C1C(C(N(C)C)=O)C(C)(N(C(N1)=S)c1ccc(cc1)[Br])O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8518 |
| logD: | 3.8518 |
| logSw: | -4.076 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.513 |
| InChI Key: | IQZWOOVFMOVVQM-UHFFFAOYSA-N |