2-[(2-cyanoethyl)(methyl)amino]-5-(4-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[(2-cyanoethyl)(methyl)amino]-5-(4-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
2-[(2-cyanoethyl)(methyl)amino]-5-(4-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0353 |
| Compound Name: | 2-[(2-cyanoethyl)(methyl)amino]-5-(4-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 451.4 |
| Molecular Formula: | C19 H19 N3 O3 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1)C(Nc1ccc(c(c1)C(O)=O)N(C)CCC#N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8733 |
| logD: | 0.6226 |
| logSw: | -3.3699 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.133 |
| InChI Key: | RYDUGPSZPGZPBM-UHFFFAOYSA-N |