5-[(2H-1,3-benzodioxol-5-yl)amino]-3-{4-[2-(4-chlorophenoxy)ethyl]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-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one
5-[(2H-1,3-benzodioxol-5-yl)amino]-3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C090-0391 |
| Compound Name: | 5-[(2H-1,3-benzodioxol-5-yl)amino]-3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 595.05 |
| Molecular Formula: | C33 H27 Cl N4 O5 |
| Smiles: | C1CN(CCN1CCOc1ccc(cc1)[Cl])c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 7.7283 |
| logD: | 7.7062 |
| logSw: | -6.7508 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.599 |
| InChI Key: | MXDJDFQBOZRGJA-UHFFFAOYSA-N |