5-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-2-(2-fluorobenzamido)benzoic acid
Chemical Structure Depiction of
5-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-2-(2-fluorobenzamido)benzoic acid
5-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-2-(2-fluorobenzamido)benzoic acid
Compound characteristics
| Compound ID: | F687-0259 |
| Compound Name: | 5-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-2-(2-fluorobenzamido)benzoic acid |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C24 H29 F N4 O4 |
| Smiles: | CC(C)(C)NC(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NC(c1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3047 |
| logD: | -0.8115 |
| logSw: | -3.6398 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.6 |
| InChI Key: | XIHKDQAXXSAVCO-UHFFFAOYSA-N |