diethyl butyl[5-(4-methylanilino)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl]propanedioate
Chemical Structure Depiction of
diethyl butyl[5-(4-methylanilino)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl]propanedioate
diethyl butyl[5-(4-methylanilino)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl]propanedioate
Compound characteristics
| Compound ID: | 0828-0163 |
| Compound Name: | diethyl butyl[5-(4-methylanilino)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl]propanedioate |
| Molecular Weight: | 540.62 |
| Molecular Formula: | C32 H32 N2 O6 |
| Smiles: | CCCCC(C(=O)OCC)(C(=O)OCC)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 8.4781 |
| logD: | 8.4781 |
| logSw: | -6.0754 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.903 |
| InChI Key: | NXTYLKZQVJMABC-UHFFFAOYSA-N |