4-{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}-3-(2-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}-3-(2-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
4-{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}-3-(2-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F086-0272 |
| Compound Name: | 4-{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}-3-(2-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 600.59 |
| Molecular Formula: | C28 H30 N4 O4 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1)NC(CN1CCN(CC1)c1ccc(cc1NC(c1ccccc1C)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2401 |
| logD: | 3.3457 |
| logSw: | -4.7016 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.881 |
| InChI Key: | ASNMUBRPJFCYJG-UHFFFAOYSA-N |