2-[benzyl(ethyl)amino]-5-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[benzyl(ethyl)amino]-5-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[benzyl(ethyl)amino]-5-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0022 |
| Compound Name: | 2-[benzyl(ethyl)amino]-5-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 588.99 |
| Molecular Formula: | C23 H23 Cl N2 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCN(Cc1ccccc1)c1ccc(cc1C(O)=O)NS(c1ccc(c(c1)[Cl])OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6352 |
| logD: | 2.8031 |
| logSw: | -4.5826 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.366 |
| InChI Key: | WMKJGKHCOMYKOR-UHFFFAOYSA-N |