ethyl 3-({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
ethyl 3-({6-oxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoate
ethyl 3-({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: | C090-0290 |
| Compound Name: | ethyl 3-({6-oxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoate |
| Molecular Weight: | 546.59 |
| Molecular Formula: | C31 H26 N6 O4 |
| Smiles: | CCOC(c1cccc(c1)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(CC1)c1ncccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.2855 |
| logD: | 7.2855 |
| logSw: | -5.9831 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.923 |
| InChI Key: | QRPTUGYAXGSQOF-UHFFFAOYSA-N |