5-(benzylamino)-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
5-(benzylamino)-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-6-one
5-(benzylamino)-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C620-0419 |
| Compound Name: | 5-(benzylamino)-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 488.55 |
| Molecular Formula: | C29 H24 N6 O2 |
| Smiles: | C(c1ccccc1)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(CC1)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 5.7794 |
| logD: | 5.7793 |
| logSw: | -6.0986 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.492 |
| InChI Key: | ZCEODINCBDPQOC-UHFFFAOYSA-N |