4-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-3-(4-chlorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-3-(4-chlorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
4-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-3-(4-chlorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F086-0132 |
| Compound Name: | 4-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-3-(4-chlorobenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 587 |
| Molecular Formula: | C24 H29 Cl N4 O4 |
| Salt: | CF3COOH |
| Smiles: | CC(C)(C)NC(CN1CCN(CC1)c1ccc(cc1NC(c1ccc(cc1)[Cl])=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6029 |
| logD: | 2.7085 |
| logSw: | -4.5153 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.299 |
| InChI Key: | XAESNPLPJUJQOY-UHFFFAOYSA-N |