N-butyl-N-ethyl-4-(piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-butyl-N-ethyl-4-(piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
N-butyl-N-ethyl-4-(piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | F919-0282 |
Compound Name: | N-butyl-N-ethyl-4-(piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1) |
Molecular Weight: | 564.65 |
Molecular Formula: | C21 H30 N4 O3 S2 |
Salt: | CF3COOH |
Smiles: | CCCCN(CC)C(c1ccc(c(c1)NS(c1cccs1)(=O)=O)N1CCNCC1)=O |
Stereo: | ACHIRAL |
logP: | 2.9547 |
logD: | 2.9547 |
logSw: | -3.597 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 72.507 |
InChI Key: | HWZFHUYYJHDYTR-UHFFFAOYSA-N |