ethyl 3-{[3-(4-methylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[3-(4-methylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate
ethyl 3-{[3-(4-methylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate
Compound characteristics
| Compound ID: | C090-0158 |
| Compound Name: | ethyl 3-{[3-(4-methylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate |
| Molecular Weight: | 482.54 |
| Molecular Formula: | C28 H26 N4 O4 |
| Smiles: | CCOC(c1cccc(c1)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(C)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3036 |
| logD: | 5.9728 |
| logSw: | -5.9064 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.777 |
| InChI Key: | KZFDDBNRVYPEFY-UHFFFAOYSA-N |