4-[4-(2-cyanoethyl)piperazin-1-yl]-3-[(4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[4-(2-cyanoethyl)piperazin-1-yl]-3-[(4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[4-(2-cyanoethyl)piperazin-1-yl]-3-[(4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0492 |
| Compound Name: | 4-[4-(2-cyanoethyl)piperazin-1-yl]-3-[(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(Nc1cc(ccc1N1CCN(CCC#N)CC1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4128 |
| logD: | 0.6523 |
| logSw: | -2.7956 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.576 |
| InChI Key: | KLQHVEQIPOVINE-UHFFFAOYSA-N |