N-(4-{[5-(azepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]sulfamoyl}phenyl)acetamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-(4-{[5-(azepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]sulfamoyl}phenyl)acetamide--trifluoroacetic acid (1/1)
N-(4-{[5-(azepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]sulfamoyl}phenyl)acetamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0096 |
| Compound Name: | N-(4-{[5-(azepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]sulfamoyl}phenyl)acetamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 613.66 |
| Molecular Formula: | C25 H33 N5 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(Nc1ccc(cc1)S(Nc1cc(ccc1N1CCNCC1)C(N1CCCCCC1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.95 |
| logD: | 1.95 |
| logSw: | -2.8432 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.544 |
| InChI Key: | AYPROBZXCGCWOF-UHFFFAOYSA-N |