3-[4-(pyrimidin-2-yl)piperazin-1-yl]-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-[4-(pyrimidin-2-yl)piperazin-1-yl]-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-[4-(pyrimidin-2-yl)piperazin-1-yl]-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C090-0294 |
| Compound Name: | 3-[4-(pyrimidin-2-yl)piperazin-1-yl]-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 564.6 |
| Molecular Formula: | C31 H28 N6 O5 |
| Smiles: | COc1cc(cc(c1OC)OC)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(CC1)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 5.884 |
| logD: | 5.884 |
| logSw: | -5.82 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.147 |
| InChI Key: | VXTCYWYIGMNSOJ-UHFFFAOYSA-N |