diethyl [5-(4-methylanilino)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl]propanedioate
Chemical Structure Depiction of
diethyl [5-(4-methylanilino)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl]propanedioate
diethyl [5-(4-methylanilino)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl]propanedioate
Compound characteristics
| Compound ID: | 0310-0272 |
| Compound Name: | diethyl [5-(4-methylanilino)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl]propanedioate |
| Molecular Weight: | 484.51 |
| Molecular Formula: | C28 H24 N2 O6 |
| Smiles: | CCOC(C(C(=O)OCC)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.465 |
| logD: | 6.2917 |
| logSw: | -5.9776 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.903 |
| InChI Key: | PFVHMRJLUUJQEJ-UHFFFAOYSA-N |