2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(thiophene-2-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(thiophene-2-sulfonyl)amino]benzoic acid
2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(thiophene-2-sulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F290-0503 |
| Compound Name: | 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(thiophene-2-sulfonyl)amino]benzoic acid |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C18 H20 N4 O4 S2 |
| Smiles: | C(CN1CCN(CC1)c1ccc(cc1C(O)=O)NS(c1cccs1)(=O)=O)C#N |
| Stereo: | ACHIRAL |
| logP: | 2.0039 |
| logD: | -0.1117 |
| logSw: | -2.7727 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.748 |
| InChI Key: | VTFDPIQBTWOXKG-UHFFFAOYSA-N |