N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
Chemical Structure Depiction of
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
Compound characteristics
| Compound ID: | E245-0497 |
| Compound Name: | N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide |
| Molecular Weight: | 462.54 |
| Molecular Formula: | C22 H27 F N4 O4 S |
| Smiles: | Cc1cc2c(cc1S(NCCCN1CCN(CC1)c1ccccc1F)(=O)=O)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1463 |
| logD: | 2.0039 |
| logSw: | -2.9077 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.05 |
| InChI Key: | GQQBMFHANJFXRK-UHFFFAOYSA-N |