4-[butyl(methyl)amino]-3-(4-chlorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[butyl(methyl)amino]-3-(4-chlorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
4-[butyl(methyl)amino]-3-(4-chlorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F085-0145 |
| Compound Name: | 4-[butyl(methyl)amino]-3-(4-chlorobenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 474.86 |
| Molecular Formula: | C19 H21 Cl N2 O3 |
| Salt: | CF3COOH |
| Smiles: | CCCCN(C)c1ccc(cc1NC(c1ccc(cc1)[Cl])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.794 |
| logD: | 2.8996 |
| logSw: | -4.5843 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.944 |
| InChI Key: | GPNHWPBJNVLBCH-UHFFFAOYSA-N |