5-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
5-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-6-one
5-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C090-0296 |
| Compound Name: | 5-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 532.56 |
| Molecular Formula: | C30 H24 N6 O4 |
| Smiles: | C1CN(CCN1c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1ccc2c(c1)OCCO2)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 5.476 |
| logD: | 5.476 |
| logSw: | -5.8234 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.993 |
| InChI Key: | RTMMDJFMTUGBMD-UHFFFAOYSA-N |