5-{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}-2-(3-methylbutanamido)benzoic acid
Chemical Structure Depiction of
5-{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}-2-(3-methylbutanamido)benzoic acid
5-{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}-2-(3-methylbutanamido)benzoic acid
Compound characteristics
| Compound ID: | F687-0485 |
| Compound Name: | 5-{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}-2-(3-methylbutanamido)benzoic acid |
| Molecular Weight: | 452.55 |
| Molecular Formula: | C25 H32 N4 O4 |
| Smiles: | CC(C)CC(Nc1ccc(cc1C(O)=O)N1CCN(CC1)CC(Nc1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9348 |
| logD: | 0.2317 |
| logSw: | -3.8846 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.24 |
| InChI Key: | HMXRDGGZSJYIJW-UHFFFAOYSA-N |