8-bromo-3-(3-bromophenyl)-N-(4-chlorophenyl)-2-methyl-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-bromophenyl)-N-(4-chlorophenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
8-bromo-3-(3-bromophenyl)-N-(4-chlorophenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-0945 |
| Compound Name: | 8-bromo-3-(3-bromophenyl)-N-(4-chlorophenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 607.75 |
| Molecular Formula: | C24 H18 Br2 Cl N3 O2 S |
| Smiles: | CC12C(C(c3cc(ccc3O2)[Br])NC(N1c1cccc(c1)[Br])=S)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.755 |
| logD: | 6.7318 |
| logSw: | -6.4413 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.603 |
| InChI Key: | UURORENUHHXHON-UHFFFAOYSA-N |