4-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-3-(3-chlorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-3-(3-chlorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
4-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-3-(3-chlorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F086-0657 |
| Compound Name: | 4-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-3-(3-chlorobenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 587 |
| Molecular Formula: | C24 H29 Cl N4 O4 |
| Salt: | CF3COOH |
| Smiles: | CCCCNC(CN1CCN(CC1)c1ccc(cc1NC(c1cccc(c1)[Cl])=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.492 |
| logD: | 2.5976 |
| logSw: | -4.3506 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.316 |
| InChI Key: | WVFVFJHGNRWUDZ-UHFFFAOYSA-N |