N-[(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c][1]benzopyran-4-yl)methyl]-N,7-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
Chemical Structure Depiction of
N-[(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c][1]benzopyran-4-yl)methyl]-N,7-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
N-[(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c][1]benzopyran-4-yl)methyl]-N,7-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
Compound characteristics
| Compound ID: | 8018-6082 |
| Compound Name: | N-[(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c][1]benzopyran-4-yl)methyl]-N,7-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide |
| Molecular Weight: | 462.59 |
| Molecular Formula: | C22 H26 N2 O5 S2 |
| Smiles: | Cc1cc2c(cc1S(N(C)CC1c3ccsc3C3CCCCC3O1)(=O)=O)NC(CO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5794 |
| logD: | 3.5791 |
| logSw: | -3.8501 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.165 |
| InChI Key: | HQURNMWTSKVGEO-UHFFFAOYSA-N |