5-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-2-[2-(4-methoxyphenyl)acetamido]benzoic acid
Chemical Structure Depiction of
5-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-2-[2-(4-methoxyphenyl)acetamido]benzoic acid
5-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-2-[2-(4-methoxyphenyl)acetamido]benzoic acid
Compound characteristics
| Compound ID: | F687-1109 |
| Compound Name: | 5-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-2-[2-(4-methoxyphenyl)acetamido]benzoic acid |
| Molecular Weight: | 482.58 |
| Molecular Formula: | C26 H34 N4 O5 |
| Smiles: | CCCCNC(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NC(Cc1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8159 |
| logD: | -0.8872 |
| logSw: | -3.2351 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.948 |
| InChI Key: | PKAFZOKAOIYPQE-UHFFFAOYSA-N |