5-[4-(dimethylamino)anilino]-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
5-[4-(dimethylamino)anilino]-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-6-one
5-[4-(dimethylamino)anilino]-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C090-0299 |
| Compound Name: | 5-[4-(dimethylamino)anilino]-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 517.59 |
| Molecular Formula: | C30 H27 N7 O2 |
| Smiles: | CN(C)c1ccc(cc1)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(CC1)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 6.5935 |
| logD: | 6.5825 |
| logSw: | -5.9318 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.974 |
| InChI Key: | PPLUIZMTRQSWOV-UHFFFAOYSA-N |