N-(2,5-difluorophenyl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-(2,5-difluorophenyl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-(2,5-difluorophenyl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
Compound ID: | G008-1451 |
Compound Name: | N-(2,5-difluorophenyl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
Molecular Weight: | 384.42 |
Molecular Formula: | C16 H14 F2 N2 O3 S2 |
Smiles: | CC1CC(Nc2cc(ccc2S1)S(Nc1cc(ccc1F)F)(=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.0306 |
logD: | 0.5014 |
logSw: | -3.491 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 65.342 |
InChI Key: | TVPOWKDQAGIJRA-SECBINFHSA-N |