4-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-3-(3-methylbenzamido)benzoic acid
Chemical Structure Depiction of
4-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-3-(3-methylbenzamido)benzoic acid
4-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-3-(3-methylbenzamido)benzoic acid
Compound characteristics
| Compound ID: | F086-0334 |
| Compound Name: | 4-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-3-(3-methylbenzamido)benzoic acid |
| Molecular Weight: | 452.55 |
| Molecular Formula: | C25 H32 N4 O4 |
| Smiles: | Cc1cccc(c1)C(Nc1cc(ccc1N1CCN(CC1)CC(NC(C)(C)C)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3792 |
| logD: | 2.4848 |
| logSw: | -4.0892 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.299 |
| InChI Key: | MBZJORXJGAWALG-UHFFFAOYSA-N |