4-[benzyl(methyl)amino]-3-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[benzyl(methyl)amino]-3-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[benzyl(methyl)amino]-3-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0208 |
| Compound Name: | 4-[benzyl(methyl)amino]-3-[(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(cc1NS(c1ccc(c(c1)[Cl])OC)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6803 |
| logD: | 2.9198 |
| logSw: | -4.5944 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.882 |
| InChI Key: | OZFPUHGEHSGGFX-UHFFFAOYSA-N |