4-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-3-(4-methylbenzamido)benzoic acid
Chemical Structure Depiction of
4-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-3-(4-methylbenzamido)benzoic acid
4-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-3-(4-methylbenzamido)benzoic acid
Compound characteristics
| Compound ID: | F086-0076 |
| Compound Name: | 4-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-3-(4-methylbenzamido)benzoic acid |
| Molecular Weight: | 566.58 |
| Molecular Formula: | C25 H32 N4 O4 |
| Salt: | CF3COOH |
| Smiles: | CCCCNC(CN1CCN(CC1)c1ccc(cc1NC(c1ccc(C)cc1)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2526 |
| logD: | 2.3582 |
| logSw: | -3.9368 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.316 |
| InChI Key: | KWLJHPWMVQLARL-UHFFFAOYSA-N |