4-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)-3-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)-3-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
4-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)-3-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F086-0329 |
| Compound Name: | 4-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)-3-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 568.55 |
| Molecular Formula: | C24 H30 N4 O5 |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(c1)C(Nc1cc(ccc1N1CCN(CC1)CC(NCCOC)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8806 |
| logD: | 0.9862 |
| logSw: | -3.1072 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.659 |
| InChI Key: | PIXNVTXKNBCGBG-UHFFFAOYSA-N |