4-{4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl}-3-(4-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-{4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl}-3-(4-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
4-{4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl}-3-(4-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F086-0084 |
| Compound Name: | 4-{4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl}-3-(4-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 566.58 |
| Molecular Formula: | C25 H32 N4 O4 |
| Salt: | CF3COOH |
| Smiles: | CCN(CC)C(CN1CCN(CC1)c1ccc(cc1NC(c1ccc(C)cc1)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.393 |
| logD: | 1.4986 |
| logSw: | -3.4999 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.408 |
| InChI Key: | NYCVEZQUPMWMOT-UHFFFAOYSA-N |