3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-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-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C090-0272 |
| Compound Name: | 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 588.62 |
| Molecular Formula: | C34 H28 N4 O6 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1ccc2c(c1)OCCO2 |
| Stereo: | ACHIRAL |
| logP: | 5.8636 |
| logD: | 5.416 |
| logSw: | -6.0941 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.026 |
| InChI Key: | ONVJMLCCBIWRPN-UHFFFAOYSA-N |