4-[({[(3-methoxyphenyl)methyl]amino}{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[({[(3-methoxyphenyl)methyl]amino}{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[({[(3-methoxyphenyl)methyl]amino}{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G537-5974 |
| Compound Name: | 4-[({[(3-methoxyphenyl)methyl]amino}{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 593.6 |
| Molecular Formula: | C26 H33 N5 O4 |
| Salt: | CF3COOH |
| Smiles: | COc1cccc(CN\C(=N/c2ccc(cc2)C(O)=O)N2CCN(CC2)CC(N2CCCC2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.56 |
| logD: | 2.56 |
| logSw: | -2.5827 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.537 |
| InChI Key: | LHRRVXHZBWGWOH-UHFFFAOYSA-N |