5-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-2-(3-methylbutanamido)benzoic acid
Chemical Structure Depiction of
5-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-2-(3-methylbutanamido)benzoic acid
5-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-2-(3-methylbutanamido)benzoic acid
Compound characteristics
| Compound ID: | F687-0486 |
| Compound Name: | 5-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-2-(3-methylbutanamido)benzoic acid |
| Molecular Weight: | 418.54 |
| Molecular Formula: | C22 H34 N4 O4 |
| Smiles: | CCCCNC(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NC(CC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7428 |
| logD: | -0.9602 |
| logSw: | -3.0648 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.675 |
| InChI Key: | PNRXNZTVOQEPHA-UHFFFAOYSA-N |