3-(3-bromophenyl)-N-(2,4-dimethylphenyl)-2,8-dimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
3-(3-bromophenyl)-N-(2,4-dimethylphenyl)-2,8-dimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
3-(3-bromophenyl)-N-(2,4-dimethylphenyl)-2,8-dimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-1405 |
| Compound Name: | 3-(3-bromophenyl)-N-(2,4-dimethylphenyl)-2,8-dimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 536.49 |
| Molecular Formula: | C27 H26 Br N3 O2 S |
| Smiles: | Cc1ccc(c(C)c1)NC(C1C2c3cc(C)ccc3OC1(C)N(C(N2)=S)c1cccc(c1)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.5575 |
| logD: | 6.5566 |
| logSw: | -5.616 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.906 |
| InChI Key: | ZDNMCDKHXSKWMX-UHFFFAOYSA-N |