5-[4-(2-cyanoethyl)piperazin-1-yl]-2-[(4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[4-(2-cyanoethyl)piperazin-1-yl]-2-[(4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
5-[4-(2-cyanoethyl)piperazin-1-yl]-2-[(4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0050 |
| Compound Name: | 5-[4-(2-cyanoethyl)piperazin-1-yl]-2-[(4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 558.53 |
| Molecular Formula: | C21 H24 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1)S(Nc1ccc(cc1C(O)=O)N1CCN(CCC#N)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.848 |
| logD: | -2.0369 |
| logSw: | -2.7322 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.877 |
| InChI Key: | LVNPEIRYMUSOPM-UHFFFAOYSA-N |