5-[(2H-1,3-benzodioxol-5-yl)amino]-3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]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-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one
5-[(2H-1,3-benzodioxol-5-yl)amino]-3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C090-0271 |
| Compound Name: | 5-[(2H-1,3-benzodioxol-5-yl)amino]-3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 574.59 |
| Molecular Formula: | C33 H26 N4 O6 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 6.7241 |
| logD: | 6.2766 |
| logSw: | -6.3009 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.318 |
| InChI Key: | SDFSGRARYIAART-UHFFFAOYSA-N |