3-methyl-N-[(5-methylfuran-2-yl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
3-methyl-N-[(5-methylfuran-2-yl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
3-methyl-N-[(5-methylfuran-2-yl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
Compound ID: | G008-1810 |
Compound Name: | 3-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: | CC1CSc2ccc(cc2NC1=O)S(NCc1ccc(C)o1)(=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.8698 |
logD: | 2.8693 |
logSw: | -3.3774 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 74.468 |
InChI Key: | QPQMWOASZQRUMI-SNVBAGLBSA-N |