2-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-2312 |
| Compound Name: | 2-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 558.58 |
| Molecular Formula: | C22 H28 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)(C)NC(CN1CCN(CC1)c1ccc(cc1C(O)=O)NC(c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5549 |
| logD: | 1.3043 |
| logSw: | -3.7449 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.015 |
| InChI Key: | STVFBRLALSVCOT-UHFFFAOYSA-N |