N-(4-fluoro-2-methylphenyl)-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-fluoro-2-methylphenyl)-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-(4-fluoro-2-methylphenyl)-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
Compound ID: | L925-0497 |
Compound Name: | N-(4-fluoro-2-methylphenyl)-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: | Cc1cc(ccc1NS(c1ccc2c(c1)NC(C(CC(N1CCCC1)=O)CS2)=O)(=O)=O)F |
Stereo: | RACEMIC MIXTURE |
logP: | 2.8426 |
logD: | 1.9791 |
logSw: | -3.3228 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 81.886 |
InChI Key: | GTYGRZMYSLXRKF-OAHLLOKOSA-N |