3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-chlorophenyl)-10-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-chlorophenyl)-10-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-chlorophenyl)-10-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-1954 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-chlorophenyl)-10-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 538.02 |
| Molecular Formula: | C27 H24 Cl N3 O5 S |
| Smiles: | CC12C(C(c3cccc(c3O2)OC)NC(N1Cc1ccc2c(c1)OCO2)=S)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.456 |
| logD: | 5.4491 |
| logSw: | -5.9023 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.645 |
| InChI Key: | QORYQVQKJBBLHD-UHFFFAOYSA-N |