3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-[4-(furan-2-carbonyl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-[4-(furan-2-carbonyl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-[4-(furan-2-carbonyl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C620-0600 |
| Compound Name: | 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-[4-(furan-2-carbonyl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 617.66 |
| Molecular Formula: | C35 H31 N5 O6 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)c1cc(c2C(c3ccccc3c3c2c1no3)=O)N1CCN(CC1)C(c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.091 |
| logD: | 4.6434 |
| logSw: | -5.3753 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.174 |
| InChI Key: | LRFNWTDTJZCQPI-UHFFFAOYSA-N |