4-{[6-oxo-3-(4-propylpiperazin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}butanoic acid
Chemical Structure Depiction of
4-{[6-oxo-3-(4-propylpiperazin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}butanoic acid
4-{[6-oxo-3-(4-propylpiperazin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}butanoic acid
Compound characteristics
| Compound ID: | C090-0492 |
| Compound Name: | 4-{[6-oxo-3-(4-propylpiperazin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}butanoic acid |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C25 H28 N4 O4 |
| Smiles: | CCCN1CCN(CC1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)NCCCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7703 |
| logD: | 3.7703 |
| logSw: | -4.1798 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.156 |
| InChI Key: | VOFSCYHOLQEQNF-UHFFFAOYSA-N |