3-[4-(pyridin-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-(pyridin-2-yl)piperazin-1-yl]-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-[4-(pyridin-2-yl)piperazin-1-yl]-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C090-0198 |
| Compound Name: | 3-[4-(pyridin-2-yl)piperazin-1-yl]-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 563.61 |
| Molecular Formula: | C32 H29 N5 O5 |
| Smiles: | COc1cc(cc(c1OC)OC)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(CC1)c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 6.387 |
| logD: | 6.3814 |
| logSw: | -5.8449 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.297 |
| InChI Key: | BIVGAQIOSAGXSA-UHFFFAOYSA-N |