2-[bis(2-methylpropyl)amino]-5-(3-chlorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[bis(2-methylpropyl)amino]-5-(3-chlorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
2-[bis(2-methylpropyl)amino]-5-(3-chlorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0585 |
| Compound Name: | 2-[bis(2-methylpropyl)amino]-5-(3-chlorobenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 516.94 |
| Molecular Formula: | C22 H27 Cl N2 O3 |
| Salt: | CF3COOH |
| Smiles: | CC(C)CN(CC(C)C)c1ccc(cc1C(O)=O)NC(c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.9626 |
| logD: | 3.712 |
| logSw: | -5.676 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.724 |
| InChI Key: | MROQCQDIJRUAMA-UHFFFAOYSA-N |