2-[butyl(ethyl)amino]-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[butyl(ethyl)amino]-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[butyl(ethyl)amino]-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0547 |
| Compound Name: | 2-[butyl(ethyl)amino]-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 460.47 |
| Molecular Formula: | C18 H22 N2 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(CC)c1ccc(cc1C(O)=O)NC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4378 |
| logD: | 2.1871 |
| logSw: | -4.049 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.445 |
| InChI Key: | RKPUQUXJPBLNRJ-UHFFFAOYSA-N |