N-(2-{[5-(azepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]sulfamoyl}-4-methylphenyl)acetamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-(2-{[5-(azepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]sulfamoyl}-4-methylphenyl)acetamide--trifluoroacetic acid (1/1)
N-(2-{[5-(azepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]sulfamoyl}-4-methylphenyl)acetamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0516 |
| Compound Name: | N-(2-{[5-(azepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]sulfamoyl}-4-methylphenyl)acetamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 627.68 |
| Molecular Formula: | C26 H35 N5 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(Nc1ccc(C)cc1S(Nc1cc(ccc1N1CCNCC1)C(N1CCCCCC1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7672 |
| logD: | 1.7672 |
| logSw: | -2.6232 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.846 |
| InChI Key: | KRQMHZZGMZVMTP-UHFFFAOYSA-N |