4-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0641 |
| Compound Name: | 4-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 594.63 |
| Molecular Formula: | C21 H28 N4 O5 S2 |
| Salt: | CF3COOH |
| Smiles: | CCCCNC(CN1CCN(CC1)c1ccc(cc1NS(c1cccs1)(=O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.328 |
| logD: | 1.3901 |
| logSw: | -3.5401 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.893 |
| InChI Key: | HAUIDQRBNGKWKW-UHFFFAOYSA-N |