5-{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}-2-(3-methylbenzamido)benzoic acid
Chemical Structure Depiction of
5-{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}-2-(3-methylbenzamido)benzoic acid
5-{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}-2-(3-methylbenzamido)benzoic acid
Compound characteristics
| Compound ID: | F687-0339 |
| Compound Name: | 5-{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}-2-(3-methylbenzamido)benzoic acid |
| Molecular Weight: | 486.57 |
| Molecular Formula: | C28 H30 N4 O4 |
| Smiles: | Cc1ccc(cc1)NC(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NC(c1cccc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7059 |
| logD: | 0.5896 |
| logSw: | -4.2012 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.182 |
| InChI Key: | YATRRGZXQUSWOH-UHFFFAOYSA-N |