5-(3-methoxyanilino)-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
5-(3-methoxyanilino)-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-6-one
5-(3-methoxyanilino)-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C090-0289 |
| Compound Name: | 5-(3-methoxyanilino)-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 504.55 |
| Molecular Formula: | C29 H24 N6 O3 |
| Smiles: | COc1cccc(c1)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(CC1)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 6.5699 |
| logD: | 6.5699 |
| logSw: | -5.9796 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.713 |
| InChI Key: | VNNYWIQMBGVWAV-UHFFFAOYSA-N |