2-[(4-bromobenzene-1-sulfonyl)amino]-5-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[(4-bromobenzene-1-sulfonyl)amino]-5-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
2-[(4-bromobenzene-1-sulfonyl)amino]-5-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0004 |
| Compound Name: | 2-[(4-bromobenzene-1-sulfonyl)amino]-5-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 607.4 |
| Molecular Formula: | C20 H21 Br N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | C(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NS(c1ccc(cc1)[Br])(=O)=O)C#N |
| Stereo: | ACHIRAL |
| logP: | 2.6995 |
| logD: | -1.1853 |
| logSw: | -3.3423 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.333 |
| InChI Key: | YUJJOSBBUKVBBR-UHFFFAOYSA-N |