4-[4-(2-cyanoethyl)piperazin-1-yl]-3-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[4-(2-cyanoethyl)piperazin-1-yl]-3-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
4-[4-(2-cyanoethyl)piperazin-1-yl]-3-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0509 |
| Compound Name: | 4-[4-(2-cyanoethyl)piperazin-1-yl]-3-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 570.59 |
| Molecular Formula: | C23 H28 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)c1ccc(cc1)S(Nc1cc(ccc1N1CCN(CCC#N)CC1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7686 |
| logD: | 1.0299 |
| logSw: | -3.9546 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.032 |
| InChI Key: | SONRLEXJPSGQQU-UHFFFAOYSA-N |