methyl 4-[(6-oxo-3-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-5-yl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(6-oxo-3-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-5-yl)amino]benzoate
methyl 4-[(6-oxo-3-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-5-yl)amino]benzoate
Compound characteristics
| Compound ID: | C090-0372 |
| Compound Name: | methyl 4-[(6-oxo-3-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-5-yl)amino]benzoate |
| Molecular Weight: | 634.69 |
| Molecular Formula: | C36 H34 N4 O7 |
| Smiles: | COC(c1ccc(cc1)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(CC1)Cc1ccc(c(c1OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0584 |
| logD: | 6.5948 |
| logSw: | -6.0151 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.326 |
| InChI Key: | WNAFWFAPJANEGW-UHFFFAOYSA-N |