4-[benzyl(methyl)amino]-3-[(4-ethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[benzyl(methyl)amino]-3-[(4-ethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[benzyl(methyl)amino]-3-[(4-ethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0214 |
| Compound Name: | 4-[benzyl(methyl)amino]-3-[(4-ethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 554.54 |
| Molecular Formula: | C23 H24 N2 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCOc1ccc(cc1)S(Nc1cc(ccc1N(C)Cc1ccccc1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.869 |
| logD: | 3.1085 |
| logSw: | -4.3231 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.376 |
| InChI Key: | SRXYVOJMGPZMOG-UHFFFAOYSA-N |