8-chloro-N-(2,4-dimethylphenyl)-3-(3-methoxypropyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
8-chloro-N-(2,4-dimethylphenyl)-3-(3-methoxypropyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
8-chloro-N-(2,4-dimethylphenyl)-3-(3-methoxypropyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-1324 |
| Compound Name: | 8-chloro-N-(2,4-dimethylphenyl)-3-(3-methoxypropyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 474.02 |
| Molecular Formula: | C24 H28 Cl N3 O3 S |
| Smiles: | Cc1ccc(c(C)c1)NC(C1C2c3cc(ccc3OC1(C)N(CCCOC)C(N2)=S)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0882 |
| logD: | 5.088 |
| logSw: | -5.2304 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.109 |
| InChI Key: | DVKRSKGNYXXFGG-UHFFFAOYSA-N |