3-methylbutyl 6-oxo-6H-anthra[1,9-cd][1,2]oxazole-3-carboxylate
Chemical Structure Depiction of
3-methylbutyl 6-oxo-6H-anthra[1,9-cd][1,2]oxazole-3-carboxylate
3-methylbutyl 6-oxo-6H-anthra[1,9-cd][1,2]oxazole-3-carboxylate
Compound characteristics
| Compound ID: | 0828-0066 |
| Compound Name: | 3-methylbutyl 6-oxo-6H-anthra[1,9-cd][1,2]oxazole-3-carboxylate |
| Molecular Weight: | 335.36 |
| Molecular Formula: | C20 H17 N O4 |
| Smiles: | CC(C)CCOC(c1ccc2C(c3ccccc3c3c2c1no3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2245 |
| logD: | 5.2245 |
| logSw: | -5.2211 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.229 |
| InChI Key: | SNAPMRRAECSYHS-UHFFFAOYSA-N |