methyl 4-[(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl)amino]benzoate
methyl 4-[(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl)amino]benzoate
Compound characteristics
| Compound ID: | C090-0276 |
| Compound Name: | methyl 4-[(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl)amino]benzoate |
| Molecular Weight: | 588.62 |
| Molecular Formula: | C34 H28 N4 O6 |
| Smiles: | COC(c1ccc(cc1)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9818 |
| logD: | 6.5342 |
| logSw: | -6.0102 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.377 |
| InChI Key: | MYYSHEVCRYUOLU-UHFFFAOYSA-N |