3-{[(benzylamino){4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}methylidene]amino}benzoic acid
Chemical Structure Depiction of
3-{[(benzylamino){4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}methylidene]amino}benzoic acid
3-{[(benzylamino){4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}methylidene]amino}benzoic acid
Compound characteristics
| Compound ID: | G696-5745 |
| Compound Name: | 3-{[(benzylamino){4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}methylidene]amino}benzoic acid |
| Molecular Weight: | 565.59 |
| Molecular Formula: | C25 H33 N5 O3 |
| Salt: | CF3COOH |
| Smiles: | CC(C)(C)NC(CN1CCN(CC1)C(/NCc1ccccc1)=N/c1cccc(c1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8697 |
| logD: | 3.8697 |
| logSw: | -3.8562 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.802 |
| InChI Key: | XRWSKGITJCMHRF-UHFFFAOYSA-N |