2-{[3-(4-methylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}ethyl propanoate
Chemical Structure Depiction of
2-{[3-(4-methylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}ethyl propanoate
2-{[3-(4-methylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}ethyl propanoate
Compound characteristics
| Compound ID: | C620-0056 |
| Compound Name: | 2-{[3-(4-methylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}ethyl propanoate |
| Molecular Weight: | 434.49 |
| Molecular Formula: | C24 H26 N4 O4 |
| Smiles: | CCC(=O)OCCNc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(C)CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.0997 |
| logD: | 3.769 |
| logSw: | -4.435 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.912 |
| InChI Key: | KVLGSEOPJZTFKB-UHFFFAOYSA-N |