N-butyl-4-methyl-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-butyl-4-methyl-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-butyl-4-methyl-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L127-0745 |
| Compound Name: | N-butyl-4-methyl-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 517.59 |
| Molecular Formula: | C17 H29 N3 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | CCCCN(CCS(N1CCNCC1)(=O)=O)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7684 |
| logD: | 1.4237 |
| logSw: | -2.5268 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.408 |
| InChI Key: | YWZSFVSXUGBILI-UHFFFAOYSA-N |