methyl 4-({6-oxo-3-[4-(pyrimidin-2-yl)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-(pyrimidin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoate
methyl 4-({6-oxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoate
Compound characteristics
| Compound ID: | C090-0300 |
| Compound Name: | methyl 4-({6-oxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoate |
| Molecular Weight: | 532.56 |
| Molecular Formula: | C30 H24 N6 O4 |
| Smiles: | COC(c1ccc(cc1)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(CC1)c1ncccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5942 |
| logD: | 6.5942 |
| logSw: | -5.9201 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.343 |
| InChI Key: | ODXMDDGNAYXKTM-UHFFFAOYSA-N |