N-[6-oxo-3-(4-propylpiperazin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]-beta-alanine
Chemical Structure Depiction of
N-[6-oxo-3-(4-propylpiperazin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]-beta-alanine
N-[6-oxo-3-(4-propylpiperazin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]-beta-alanine
Compound characteristics
| Compound ID: | C090-0561 |
| Compound Name: | N-[6-oxo-3-(4-propylpiperazin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]-beta-alanine |
| Molecular Weight: | 434.49 |
| Molecular Formula: | C24 H26 N4 O4 |
| Smiles: | CCCN1CCN(CC1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)NCCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3564 |
| logD: | 3.3564 |
| logSw: | -4.108 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.156 |
| InChI Key: | PGUGEPCTKNGLRF-UHFFFAOYSA-N |