4-{[(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl){[(3-methoxyphenyl)methyl]amino}methylidene]amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-{[(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl){[(3-methoxyphenyl)methyl]amino}methylidene]amino}benzoic acid--trifluoroacetic acid (1/1)
4-{[(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl){[(3-methoxyphenyl)methyl]amino}methylidene]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G537-5985 |
| Compound Name: | 4-{[(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl){[(3-methoxyphenyl)methyl]amino}methylidene]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 597.59 |
| Molecular Formula: | C25 H33 N5 O5 |
| Salt: | CF3COOH |
| Smiles: | COCCNC(CN1CCN(CC1)C(/NCc1cccc(c1)OC)=N/c1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1994 |
| logD: | 2.1994 |
| logSw: | -2.593 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.706 |
| InChI Key: | UQPAEXNKWIQQID-UHFFFAOYSA-N |