N-(4-{[(4-fluorophenyl)methyl][2-(piperazine-1-sulfonyl)ethyl]sulfamoyl}phenyl)acetamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-(4-{[(4-fluorophenyl)methyl][2-(piperazine-1-sulfonyl)ethyl]sulfamoyl}phenyl)acetamide--trifluoroacetic acid (1/1)
N-(4-{[(4-fluorophenyl)methyl][2-(piperazine-1-sulfonyl)ethyl]sulfamoyl}phenyl)acetamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L127-0505 |
| Compound Name: | N-(4-{[(4-fluorophenyl)methyl][2-(piperazine-1-sulfonyl)ethyl]sulfamoyl}phenyl)acetamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 612.62 |
| Molecular Formula: | C21 H27 F N4 O5 S2 |
| Salt: | CF3COOH |
| Smiles: | CC(Nc1ccc(cc1)S(N(CCS(N1CCNCC1)(=O)=O)Cc1ccc(cc1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8056 |
| logD: | 0.4609 |
| logSw: | -2.3874 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.42 |
| InChI Key: | VRZWBLZJTISUEV-UHFFFAOYSA-N |