2-[benzyl(methyl)amino]-5-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[benzyl(methyl)amino]-5-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[benzyl(methyl)amino]-5-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0208 |
| Compound Name: | 2-[benzyl(methyl)amino]-5-[(3-chloro-4-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(c1ccc(c(c1)[Cl])OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5707 |
| logD: | 2.7386 |
| logSw: | -4.4329 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.58 |
| InChI Key: | NJHQHXSZMWLGRS-UHFFFAOYSA-N |