4-methyl-N-(3-phenylpropyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-methyl-N-(3-phenylpropyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
4-methyl-N-(3-phenylpropyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L127-0688 |
| Compound Name: | 4-methyl-N-(3-phenylpropyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 579.66 |
| Molecular Formula: | C22 H31 N3 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1)S(N(CCCc1ccccc1)CCS(N1CCNCC1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7456 |
| logD: | 2.401 |
| logSw: | -3.3163 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.136 |
| InChI Key: | FUUCBLWHADNCHL-UHFFFAOYSA-N |