3-[(3-methylbenzene-1-sulfonyl)amino]-4-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(3-methylbenzene-1-sulfonyl)amino]-4-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
3-[(3-methylbenzene-1-sulfonyl)amino]-4-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0665 |
| Compound Name: | 3-[(3-methylbenzene-1-sulfonyl)amino]-4-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 588.6 |
| Molecular Formula: | C23 H30 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCCNC(CN1CCN(CC1)c1ccc(cc1NS(c1cccc(C)c1)(=O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3069 |
| logD: | 0.5681 |
| logSw: | -3.4811 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.875 |
| InChI Key: | ZZICQBKAOGLMAI-UHFFFAOYSA-N |