3-(4-methylphenoxy)-5-oxo-5H-anthra[1,9-cd][1,2]oxazol-6-yl benzoate
Chemical Structure Depiction of
3-(4-methylphenoxy)-5-oxo-5H-anthra[1,9-cd][1,2]oxazol-6-yl benzoate
3-(4-methylphenoxy)-5-oxo-5H-anthra[1,9-cd][1,2]oxazol-6-yl benzoate
Compound characteristics
| Compound ID: | 0828-0124 |
| Compound Name: | 3-(4-methylphenoxy)-5-oxo-5H-anthra[1,9-cd][1,2]oxazol-6-yl benzoate |
| Molecular Weight: | 447.45 |
| Molecular Formula: | C28 H17 N O5 |
| Smiles: | Cc1ccc(cc1)OC1=CC(c2c(c3ccccc3c3c2c1no3)OC(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3979 |
| logD: | 6.3979 |
| logSw: | -6.384 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.648 |
| InChI Key: | AKRRLNBWYNAKOB-UHFFFAOYSA-N |