methyl 6-oxo-6H-anthra[1,9-cd][1,2]oxazole-3-carboxylate
Chemical Structure Depiction of
methyl 6-oxo-6H-anthra[1,9-cd][1,2]oxazole-3-carboxylate
methyl 6-oxo-6H-anthra[1,9-cd][1,2]oxazole-3-carboxylate
Compound characteristics
| Compound ID: | 0310-0100 |
| Compound Name: | methyl 6-oxo-6H-anthra[1,9-cd][1,2]oxazole-3-carboxylate |
| Molecular Weight: | 279.25 |
| Molecular Formula: | C16 H9 N O4 |
| Smiles: | COC(c1ccc2C(c3ccccc3c3c2c1no3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4261 |
| logD: | 3.4261 |
| logSw: | -4.3123 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.355 |
| InChI Key: | VTZHHJWRJNBRND-UHFFFAOYSA-N |