2-(3-chlorobenzamido)-5-{methyl[2-oxo-2-(pyrrolidin-1-yl)ethyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(3-chlorobenzamido)-5-{methyl[2-oxo-2-(pyrrolidin-1-yl)ethyl]amino}benzoic acid--trifluoroacetic acid (1/1)
2-(3-chlorobenzamido)-5-{methyl[2-oxo-2-(pyrrolidin-1-yl)ethyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F685-1120 |
| Compound Name: | 2-(3-chlorobenzamido)-5-{methyl[2-oxo-2-(pyrrolidin-1-yl)ethyl]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 529.9 |
| Molecular Formula: | C21 H22 Cl N3 O4 |
| Salt: | CF3COOH |
| Smiles: | CN(CC(N1CCCC1)=O)c1ccc(c(c1)C(O)=O)NC(c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1376 |
| logD: | -0.9786 |
| logSw: | -3.5986 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.753 |
| InChI Key: | GWNNAGVFPIISNQ-UHFFFAOYSA-N |