3-(3-chlorobenzamido)-4-[4-(pyrimidin-2-yl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-(3-chlorobenzamido)-4-[4-(pyrimidin-2-yl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
3-(3-chlorobenzamido)-4-[4-(pyrimidin-2-yl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F086-0648 |
| Compound Name: | 3-(3-chlorobenzamido)-4-[4-(pyrimidin-2-yl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 551.91 |
| Molecular Formula: | C22 H20 Cl N5 O3 |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCN1c1ccc(cc1NC(c1cccc(c1)[Cl])=O)C(O)=O)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 4.6823 |
| logD: | 2.7879 |
| logSw: | -4.5674 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.814 |
| InChI Key: | WEGSCRGOIHVLLR-UHFFFAOYSA-N |