N-{4-[(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]phenyl}acetamide
Chemical Structure Depiction of
N-{4-[(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]phenyl}acetamide
N-{4-[(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]phenyl}acetamide
Compound characteristics
| Compound ID: | G008-1818 |
| Compound Name: | N-{4-[(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]phenyl}acetamide |
| Molecular Weight: | 405.49 |
| Molecular Formula: | C18 H19 N3 O4 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(Nc1ccc(cc1)NC(C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3137 |
| logD: | 2.2824 |
| logSw: | -2.9128 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.359 |
| InChI Key: | FOFJXBGYYOXOSK-LLVKDONJSA-N |