3-[(3-fluorobenzene-1-sulfonyl)amino]-4-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(3-fluorobenzene-1-sulfonyl)amino]-4-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
3-[(3-fluorobenzene-1-sulfonyl)amino]-4-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0691 |
| Compound Name: | 3-[(3-fluorobenzene-1-sulfonyl)amino]-4-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 608.57 |
| Molecular Formula: | C22 H27 F N4 O6 S |
| Salt: | CF3COOH |
| Smiles: | COCCNC(CN1CCN(CC1)c1ccc(cc1NS(c1cccc(c1)F)(=O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2385 |
| logD: | -0.5002 |
| logSw: | -2.7741 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.217 |
| InChI Key: | ARYUYBRIJAHUBU-UHFFFAOYSA-N |