3-[5-(3-methylanilino)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl]pentane-2,4-dione
Chemical Structure Depiction of
3-[5-(3-methylanilino)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl]pentane-2,4-dione
3-[5-(3-methylanilino)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl]pentane-2,4-dione
Compound characteristics
Compound ID: | 2920-0028 |
Compound Name: | 3-[5-(3-methylanilino)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl]pentane-2,4-dione |
Molecular Weight: | 424.46 |
Molecular Formula: | C26 H20 N2 O4 |
Smiles: | CC(C(C(C)=O)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1cccc(C)c1)=O |
Stereo: | ACHIRAL |
logP: | 5.677 |
logD: | 1.8132 |
logSw: | -5.8621 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 71.049 |
InChI Key: | WNZBTXDCBCJMHI-UHFFFAOYSA-N |