3-(3-bromophenyl)-8-chloro-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
3-(3-bromophenyl)-8-chloro-N,N,2-trimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
3-(3-bromophenyl)-8-chloro-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: | K272-1445 |
| Compound Name: | 3-(3-bromophenyl)-8-chloro-N,N,2-trimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 480.81 |
| Molecular Formula: | C20 H19 Br Cl N3 O2 S |
| Smiles: | CC12C(C(c3cc(ccc3O2)[Cl])NC(N1c1cccc(c1)[Br])=S)C(N(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0679 |
| logD: | 4.0679 |
| logSw: | -4.5489 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.513 |
| InChI Key: | GAXFQCAXBXBYMI-UHFFFAOYSA-N |