3-[(2,5-difluorobenzene-1-sulfonyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(2,5-difluorobenzene-1-sulfonyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
3-[(2,5-difluorobenzene-1-sulfonyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0041 |
| Compound Name: | 3-[(2,5-difluorobenzene-1-sulfonyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 525.45 |
| Molecular Formula: | C18 H19 F2 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CN1CCN(CC1)c1ccc(cc1NS(c1cc(ccc1F)F)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8606 |
| logD: | 2.8606 |
| logSw: | -3.3757 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.227 |
| InChI Key: | NFHCSLCCOIKUTI-UHFFFAOYSA-N |