N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl)-2-fluorobenzamide
Chemical Structure Depiction of
N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl)-2-fluorobenzamide
N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl)-2-fluorobenzamide
Compound characteristics
| Compound ID: | V004-4313 |
| Compound Name: | N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl)-2-fluorobenzamide |
| Molecular Weight: | 606.65 |
| Molecular Formula: | C31 H28 F2 N4 O5 S |
| Salt: | not_available |
| Smiles: | C(c1ccc2c(c1)OCO2)NS(c1cc(ccc1N1CCN(CC1)c1ccccc1F)NC(c1ccccc1F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7145 |
| logD: | 5.6558 |
| logSw: | -5.8491 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.314 |
| InChI Key: | YXIYBMLHRWQFQB-UHFFFAOYSA-N |