2-(3-methylbutanamido)-5-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid
Chemical Structure Depiction of
2-(3-methylbutanamido)-5-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid
2-(3-methylbutanamido)-5-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid
Compound characteristics
| Compound ID: | F687-0487 |
| Compound Name: | 2-(3-methylbutanamido)-5-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C21 H32 N4 O4 |
| Smiles: | CCCNC(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NC(CC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1561 |
| logD: | -1.547 |
| logSw: | -2.9624 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.675 |
| InChI Key: | ZEFWVPQAJMLSHX-UHFFFAOYSA-N |