N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2355 |
| Compound Name: | N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 492.63 |
| Molecular Formula: | C23 H29 F N4 O3 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(NCCCN1CCN(CC1)c1ccccc1F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0877 |
| logD: | 2.9454 |
| logSw: | -3.6586 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.932 |
| InChI Key: | DULKLZQLOHJURK-QGZVFWFLSA-N |