N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
Compound ID: | G008-1643 |
Compound Name: | N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
Molecular Weight: | 478.61 |
Molecular Formula: | C22 H27 F N4 O3 S2 |
Smiles: | CC1CC(Nc2cc(ccc2S1)S(NCCN1CCN(CC1)c1ccccc1F)(=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.0092 |
logD: | 3.0032 |
logSw: | -3.6687 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 73.932 |
InChI Key: | SJNHVVFEUXXWEL-MRXNPFEDSA-N |