N-(2,4-dimethylphenyl)-10-ethoxy-3-ethyl-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)-10-ethoxy-3-ethyl-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
N-(2,4-dimethylphenyl)-10-ethoxy-3-ethyl-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-2121 |
| Compound Name: | N-(2,4-dimethylphenyl)-10-ethoxy-3-ethyl-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 439.58 |
| Molecular Formula: | C24 H29 N3 O3 S |
| Smiles: | CCN1C(NC2C(C(Nc3ccc(C)cc3C)=O)C1(C)Oc1c2cccc1OCC)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9867 |
| logD: | 4.9864 |
| logSw: | -4.506 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.408 |
| InChI Key: | YKBPLJPLQHJUII-UHFFFAOYSA-N |