5-[(ethanesulfonyl)amino]-2-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid
Chemical Structure Depiction of
5-[(ethanesulfonyl)amino]-2-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid
5-[(ethanesulfonyl)amino]-2-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid
Compound characteristics
| Compound ID: | F290-0649 |
| Compound Name: | 5-[(ethanesulfonyl)amino]-2-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C18 H28 N4 O5 S |
| Smiles: | CCCNC(CN1CCN(CC1)c1ccc(cc1C(O)=O)NS(CC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6947 |
| logD: | -0.4209 |
| logSw: | -2.658 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.471 |
| InChI Key: | WTHOJKMJLKGMEY-UHFFFAOYSA-N |