N-[(4-fluorophenyl)methyl]-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[(4-fluorophenyl)methyl]-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
Compound ID: | L925-0456 |
Compound Name: | N-[(4-fluorophenyl)methyl]-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
Molecular Weight: | 477.58 |
Molecular Formula: | C22 H24 F N3 O4 S2 |
Smiles: | C1CCN(C1)C(CC1CSc2ccc(cc2NC1=O)S(NCc1ccc(cc1)F)(=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.5687 |
logD: | 2.5678 |
logSw: | -3.1012 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 83.692 |
InChI Key: | ODZNFOFBAZLQEG-MRXNPFEDSA-N |