2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-5-[(methanesulfonyl)amino]benzoic acid
Chemical Structure Depiction of
2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-5-[(methanesulfonyl)amino]benzoic acid
2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-5-[(methanesulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F290-0640 |
| Compound Name: | 2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-5-[(methanesulfonyl)amino]benzoic acid |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C18 H28 N4 O5 S |
| Smiles: | CCCCNC(CN1CCN(CC1)c1ccc(cc1C(O)=O)NS(C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5385 |
| logD: | -0.5772 |
| logSw: | -2.5221 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.79 |
| InChI Key: | JKGDKIYUDXCQFK-UHFFFAOYSA-N |