3-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]-4-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]-4-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
3-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]-4-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0511 |
| Compound Name: | 3-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]-4-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 592.98 |
| Molecular Formula: | C21 H23 Cl N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1[Cl])S(Nc1cc(ccc1N1CCN(CCC#N)CC1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6107 |
| logD: | 0.8501 |
| logSw: | -3.3148 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.662 |
| InChI Key: | XEFBUMQQCRXPCV-UHFFFAOYSA-N |