methyl 4-{[6-oxo-3-(4-oxopiperidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[6-oxo-3-(4-oxopiperidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate
methyl 4-{[6-oxo-3-(4-oxopiperidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate
Compound characteristics
| Compound ID: | C090-0216 |
| Compound Name: | methyl 4-{[6-oxo-3-(4-oxopiperidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate |
| Molecular Weight: | 467.48 |
| Molecular Formula: | C27 H21 N3 O5 |
| Smiles: | COC(c1ccc(cc1)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCC(CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2311 |
| logD: | 5.2311 |
| logSw: | -5.2801 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.07 |
| InChI Key: | QVMFIFZFNPWWMS-UHFFFAOYSA-N |