3-{[(benzylamino){4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}methylidene]amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-{[(benzylamino){4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}methylidene]amino}benzoic acid--trifluoroacetic acid (1/1)
3-{[(benzylamino){4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}methylidene]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G696-5734 |
| Compound Name: | 3-{[(benzylamino){4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}methylidene]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 599.61 |
| Molecular Formula: | C28 H31 N5 O3 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1)NC(CN1CCN(CC1)C(\NCc1ccccc1)=N/c1cccc(c1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8827 |
| logD: | 4.8827 |
| logSw: | -4.3725 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.384 |
| InChI Key: | MCVXVFDQHREXFA-UHFFFAOYSA-N |