2-[butyl(methyl)amino]-5-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[butyl(methyl)amino]-5-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[butyl(methyl)amino]-5-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0089 |
| Compound Name: | 2-[butyl(methyl)amino]-5-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 540.94 |
| Molecular Formula: | C19 H23 Cl N2 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(C)c1ccc(cc1C(O)=O)NS(c1ccc(c(c1)[Cl])OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0057 |
| logD: | 1.89 |
| logSw: | -4.271 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.83 |
| InChI Key: | MDRBYLNIXMPXSO-UHFFFAOYSA-N |