4-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)-3-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)-3-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)-3-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0692 |
| Compound Name: | 4-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)-3-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 604.6 |
| Molecular Formula: | C23 H30 N4 O6 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccccc1S(Nc1cc(ccc1N1CCN(CC1)CC(NCCOC)=O)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4084 |
| logD: | -1.0321 |
| logSw: | -2.7784 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.217 |
| InChI Key: | KOUSUUWERVWUNC-UHFFFAOYSA-N |