N-(4-{butyl[2-(piperazine-1-sulfonyl)ethyl]sulfamoyl}phenyl)acetamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-(4-{butyl[2-(piperazine-1-sulfonyl)ethyl]sulfamoyl}phenyl)acetamide--trifluoroacetic acid (1/1)
N-(4-{butyl[2-(piperazine-1-sulfonyl)ethyl]sulfamoyl}phenyl)acetamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L127-0743 |
| Compound Name: | N-(4-{butyl[2-(piperazine-1-sulfonyl)ethyl]sulfamoyl}phenyl)acetamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 560.61 |
| Molecular Formula: | C18 H30 N4 O5 S2 |
| Salt: | CF3COOH |
| Smiles: | CCCCN(CCS(N1CCNCC1)(=O)=O)S(c1ccc(cc1)NC(C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5462 |
| logD: | 0.2015 |
| logSw: | -2.2731 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.67 |
| InChI Key: | ALNUBUJBPHYUOU-UHFFFAOYSA-N |