2-methyl-N-[(5-methylfuran-2-yl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
2-methyl-N-[(5-methylfuran-2-yl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
2-methyl-N-[(5-methylfuran-2-yl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-1602 |
| Compound Name: | 2-methyl-N-[(5-methylfuran-2-yl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 366.46 |
| Molecular Formula: | C16 H18 N2 O4 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(NCc1ccc(C)o1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6645 |
| logD: | 2.6641 |
| logSw: | -3.2388 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.411 |
| InChI Key: | VCBHEWAGAMSGEW-LLVKDONJSA-N |