3-{[(benzylamino){4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}methylidene]amino}benzoic acid
Chemical Structure Depiction of
3-{[(benzylamino){4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}methylidene]amino}benzoic acid
3-{[(benzylamino){4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}methylidene]amino}benzoic acid
Compound characteristics
| Compound ID: | G696-5735 |
| Compound Name: | 3-{[(benzylamino){4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}methylidene]amino}benzoic acid |
| Molecular Weight: | 565.59 |
| Molecular Formula: | C25 H33 N5 O3 |
| Salt: | CF3COOH |
| Smiles: | CCCCNC(CN1CCN(CC1)C(\NCc1ccccc1)=N/c1cccc(c1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6908 |
| logD: | 3.6908 |
| logSw: | -3.7427 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.82 |
| InChI Key: | JPHXDSPUCJBSEP-UHFFFAOYSA-N |