4-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)-3-(2-methylbenzamido)benzoic acid
Chemical Structure Depiction of
4-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)-3-(2-methylbenzamido)benzoic acid
4-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)-3-(2-methylbenzamido)benzoic acid
Compound characteristics
| Compound ID: | F086-0278 |
| Compound Name: | 4-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)-3-(2-methylbenzamido)benzoic acid |
| Molecular Weight: | 568.55 |
| Molecular Formula: | C24 H30 N4 O5 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccccc1C(Nc1cc(ccc1N1CCN(CC1)CC(NCCOC)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7284 |
| logD: | 0.8341 |
| logSw: | -3.0985 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.659 |
| InChI Key: | AYCBRZVHQVJFLK-UHFFFAOYSA-N |