2-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)-5-(2-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)-5-(2-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
2-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)-5-(2-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-2244 |
| Compound Name: | 2-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)-5-(2-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 568.55 |
| Molecular Formula: | C24 H30 N4 O5 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccccc1C(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)CC(NCCOC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3627 |
| logD: | 0.112 |
| logSw: | -2.8297 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.357 |
| InChI Key: | IYSNIQXBKXWZTA-UHFFFAOYSA-N |