5-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-2-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-2-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
5-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-2-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0026 |
| Compound Name: | 5-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-2-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 606.59 |
| Molecular Formula: | C23 H29 F N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCCCNC(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NS(c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0292 |
| logD: | -0.8556 |
| logSw: | -3.4374 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.176 |
| InChI Key: | ITJLJVXFCXVKII-UHFFFAOYSA-N |