2-{[3-(4-methylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}ethyl acetate
Chemical Structure Depiction of
2-{[3-(4-methylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}ethyl acetate
2-{[3-(4-methylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}ethyl acetate
Compound characteristics
| Compound ID: | C620-0051 |
| Compound Name: | 2-{[3-(4-methylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}ethyl acetate |
| Molecular Weight: | 420.47 |
| Molecular Formula: | C23 H24 N4 O4 |
| Smiles: | CC(=O)OCCNc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(C)CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.6637 |
| logD: | 3.3329 |
| logSw: | -4.2787 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.608 |
| InChI Key: | YMYSPXFEXQIONX-UHFFFAOYSA-N |