2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid
2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F290-0524 |
| Compound Name: | 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C21 H24 N4 O4 S |
| Smiles: | Cc1cccc(c1)S(Nc1ccc(c(c1)C(O)=O)N1CCN(CCC#N)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5695 |
| logD: | 0.4539 |
| logSw: | -2.9115 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.73 |
| InChI Key: | CDPDKUXPVIGAGA-UHFFFAOYSA-N |