2-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]-5-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]-5-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
2-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]-5-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0466 |
| Compound Name: | 2-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]-5-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 599.59 |
| Molecular Formula: | C23 H27 N5 O5 S |
| Salt: | CF3COOH |
| Smiles: | CC(Nc1ccc(C)cc1S(Nc1ccc(cc1C(O)=O)N1CCN(CCC#N)CC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.884 |
| logD: | -3.0008 |
| logSw: | -2.358 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 115.897 |
| InChI Key: | IKHHFEXULYATIK-UHFFFAOYSA-N |