2-[butyl(ethyl)amino]-5-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[butyl(ethyl)amino]-5-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[butyl(ethyl)amino]-5-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0541 |
| Compound Name: | 2-[butyl(ethyl)amino]-5-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 554.97 |
| Molecular Formula: | C20 H25 Cl N2 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(CC)c1ccc(cc1C(O)=O)NS(c1ccc(c(c1)[Cl])OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6175 |
| logD: | 2.5019 |
| logSw: | -4.5012 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.616 |
| InChI Key: | WFDMQAHCNLSEBI-UHFFFAOYSA-N |