5-[(2H-1,3-benzodioxol-5-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-[(2H-1,3-benzodioxol-5-yl)amino]-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-6-one
5-[(2H-1,3-benzodioxol-5-yl)amino]-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C090-0295 |
| Compound Name: | 5-[(2H-1,3-benzodioxol-5-yl)amino]-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 518.53 |
| Molecular Formula: | C29 H22 N6 O4 |
| Smiles: | C1CN(CCN1c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1ccc2c(c1)OCO2)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 6.3366 |
| logD: | 6.3366 |
| logSw: | -6.1153 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.285 |
| InChI Key: | HGVVZQXEUCOYGR-UHFFFAOYSA-N |