N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-1521 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 406.48 |
| Molecular Formula: | C18 H18 N2 O5 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(NCc1ccc2c(c1)OCO2)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7485 |
| logD: | 2.7481 |
| logSw: | -3.3759 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.264 |
| InChI Key: | LIFGGLVDMUXIGM-LLVKDONJSA-N |