ethyl 3-{[3-(4-cyclohexylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[3-(4-cyclohexylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate
ethyl 3-{[3-(4-cyclohexylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate
Compound characteristics
Compound ID: | C090-0122 |
Compound Name: | ethyl 3-{[3-(4-cyclohexylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate |
Molecular Weight: | 550.66 |
Molecular Formula: | C33 H34 N4 O4 |
Smiles: | CCOC(c1cccc(c1)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(CC1)C1CCCCC1)=O |
Stereo: | ACHIRAL |
logP: | 8.1426 |
logD: | 7.7492 |
logSw: | -5.9341 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 70.394 |
InChI Key: | QXXYHKGBBVBLDG-UHFFFAOYSA-N |