5-[(2-methylbenzene-1-sulfonyl)amino]-2-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}benzoic acid
Chemical Structure Depiction of
5-[(2-methylbenzene-1-sulfonyl)amino]-2-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}benzoic acid
5-[(2-methylbenzene-1-sulfonyl)amino]-2-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}benzoic acid
Compound characteristics
Compound ID: | F290-0675 |
Compound Name: | 5-[(2-methylbenzene-1-sulfonyl)amino]-2-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}benzoic acid |
Molecular Weight: | 486.59 |
Molecular Formula: | C24 H30 N4 O5 S |
Smiles: | Cc1ccccc1S(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)CC(N1CCCC1)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.5795 |
logD: | 0.4639 |
logSw: | -3.063 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 92.747 |
InChI Key: | VXDIONLVEGERFB-UHFFFAOYSA-N |