2-[benzyl(methyl)amino]-5-[(5-chloro-2-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[benzyl(methyl)amino]-5-[(5-chloro-2-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[benzyl(methyl)amino]-5-[(5-chloro-2-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0207 |
| Compound Name: | 2-[benzyl(methyl)amino]-5-[(5-chloro-2-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 574.96 |
| Molecular Formula: | C22 H21 Cl N2 O5 S |
| Salt: | CF3COOH |
| Smiles: | CN(Cc1ccccc1)c1ccc(cc1C(O)=O)NS(c1cc(ccc1OC)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6757 |
| logD: | 2.8436 |
| logSw: | -4.5838 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.58 |
| InChI Key: | RRMUVGWPGKJKCT-UHFFFAOYSA-N |