N-(2,4-dimethylphenyl)-3-(2-methoxyethyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
N-(2,4-dimethylphenyl)-3-(2-methoxyethyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
N-(2,4-dimethylphenyl)-3-(2-methoxyethyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-1243 |
| Compound Name: | N-(2,4-dimethylphenyl)-3-(2-methoxyethyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 425.55 |
| Molecular Formula: | C23 H27 N3 O3 S |
| Smiles: | Cc1ccc(c(C)c1)NC(C1C2c3ccccc3OC1(C)N(CCOC)C(N2)=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0587 |
| logD: | 4.0584 |
| logSw: | -4.0385 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.109 |
| InChI Key: | HEOOVQHOTPQWOY-UHFFFAOYSA-N |