3-(4-methoxybenzamido)-4-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-(4-methoxybenzamido)-4-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
3-(4-methoxybenzamido)-4-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F086-0603 |
| Compound Name: | 3-(4-methoxybenzamido)-4-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 584.55 |
| Molecular Formula: | C24 H30 N4 O6 |
| Salt: | CF3COOH |
| Smiles: | COCCNC(CN1CCN(CC1)c1ccc(cc1NC(c1ccc(cc1)OC)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4919 |
| logD: | 0.5975 |
| logSw: | -2.8108 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.203 |
| InChI Key: | JIJCCZZRSPDOFF-UHFFFAOYSA-N |