4-({6-oxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoic acid
Chemical Structure Depiction of
4-({6-oxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoic acid
4-({6-oxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoic acid
Compound characteristics
| Compound ID: | C090-0477 |
| Compound Name: | 4-({6-oxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoic acid |
| Molecular Weight: | 518.53 |
| Molecular Formula: | C29 H22 N6 O4 |
| Smiles: | C1CN(CCN1c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1ccc(cc1)C(O)=O)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 6.3517 |
| logD: | 3.9565 |
| logSw: | -5.8851 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.578 |
| InChI Key: | FCSFQJSRVBCWPG-UHFFFAOYSA-N |