4-[butyl(ethyl)amino]-3-(2-chlorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[butyl(ethyl)amino]-3-(2-chlorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
4-[butyl(ethyl)amino]-3-(2-chlorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F085-0021 |
| Compound Name: | 4-[butyl(ethyl)amino]-3-(2-chlorobenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 488.89 |
| Molecular Formula: | C20 H23 Cl N2 O3 |
| Salt: | CF3COOH |
| Smiles: | CCCCN(CC)c1ccc(cc1NC(c1ccccc1[Cl])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3461 |
| logD: | 3.4517 |
| logSw: | -5.3402 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.729 |
| InChI Key: | LCJDEUJPEUEYAJ-UHFFFAOYSA-N |