3-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-5-(4-fluoroanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-5-(4-fluoroanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-5-(4-fluoroanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C090-0376 |
| Compound Name: | 3-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-5-(4-fluoroanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 569.04 |
| Molecular Formula: | C32 H26 Cl F N4 O3 |
| Smiles: | COc1ccc(cc1CN1CCN(CC1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1ccc(cc1)F)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.7196 |
| logD: | 7.6972 |
| logSw: | -6.5837 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.718 |
| InChI Key: | OETSGJBMFQASRA-UHFFFAOYSA-N |