2-[butyl(ethyl)amino]-5-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
2-[butyl(ethyl)amino]-5-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid
2-[butyl(ethyl)amino]-5-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F294-0554 |
| Compound Name: | 2-[butyl(ethyl)amino]-5-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid |
| Molecular Weight: | 504.52 |
| Molecular Formula: | C20 H26 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(CC)c1ccc(cc1C(O)=O)NS(c1cccc(C)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7659 |
| logD: | 2.6502 |
| logSw: | -4.2901 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.985 |
| InChI Key: | BLFKHHQXJBHTSM-UHFFFAOYSA-N |