5-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-2-(3-methylbutanamido)benzoic acid
Chemical Structure Depiction of
5-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-2-(3-methylbutanamido)benzoic acid
5-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-2-(3-methylbutanamido)benzoic acid
Compound characteristics
| Compound ID: | F687-0496 |
| Compound Name: | 5-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-2-(3-methylbutanamido)benzoic acid |
| Molecular Weight: | 418.54 |
| Molecular Formula: | C22 H34 N4 O4 |
| Smiles: | CC(C)CC(Nc1ccc(cc1C(O)=O)N1CCN(CC1)CC(NC(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9218 |
| logD: | -0.7813 |
| logSw: | -3.0663 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.658 |
| InChI Key: | RPJFVQYJFHEVCE-UHFFFAOYSA-N |