2-[4-(2-cyanoethyl)piperazin-1-yl]-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid
Chemical Structure Depiction of
2-[4-(2-cyanoethyl)piperazin-1-yl]-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid
2-[4-(2-cyanoethyl)piperazin-1-yl]-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid
Compound characteristics
| Compound ID: | F290-0512 |
| Compound Name: | 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid |
| Molecular Weight: | 470.59 |
| Molecular Formula: | C24 H30 N4 O4 S |
| Smiles: | CC(C)Cc1ccc(cc1)S(Nc1ccc(c(c1)C(O)=O)N1CCN(CCC#N)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9213 |
| logD: | 1.8057 |
| logSw: | -3.9588 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.73 |
| InChI Key: | NKZHTHSTIDTMEX-UHFFFAOYSA-N |