methyl 4-{[3-(4-ethylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[3-(4-ethylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate
methyl 4-{[3-(4-ethylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate
Compound characteristics
| Compound ID: | C090-0312 |
| Compound Name: | methyl 4-{[3-(4-ethylpiperazin-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: | CCN1CCN(CC1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.9571 |
| logD: | 5.5376 |
| logSw: | -5.8668 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.257 |
| InChI Key: | MVPLOTNLDYGVMM-UHFFFAOYSA-N |