10-ethoxy-3-[(2-methoxyphenyl)methyl]-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
10-ethoxy-3-[(2-methoxyphenyl)methyl]-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
10-ethoxy-3-[(2-methoxyphenyl)methyl]-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | F141-0191 |
| Compound Name: | 10-ethoxy-3-[(2-methoxyphenyl)methyl]-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 384.5 |
| Molecular Formula: | C21 H24 N2 O3 S |
| Smiles: | CCOc1cccc2C3CC(C)(N(Cc4ccccc4OC)C(N3)=S)Oc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4631 |
| logD: | 4.4631 |
| logSw: | -4.3929 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.051 |
| InChI Key: | OIXKQPZEEHJBQL-UHFFFAOYSA-N |