5-(4-ethoxyanilino)-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
5-(4-ethoxyanilino)-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-6-one
5-(4-ethoxyanilino)-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C090-0293 |
| Compound Name: | 5-(4-ethoxyanilino)-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 518.58 |
| Molecular Formula: | C30 H26 N6 O3 |
| Smiles: | CCOc1ccc(cc1)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(CC1)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 6.8724 |
| logD: | 6.8724 |
| logSw: | -5.9636 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.293 |
| InChI Key: | HNEPHRMICNFEQS-UHFFFAOYSA-N |