N-(butan-2-yl)-N'-{4-[5-(2-oxo-2H-1-benzopyran-3-yl)-1,2,4-oxadiazol-3-yl]phenyl}urea
Chemical Structure Depiction of
N-(butan-2-yl)-N'-{4-[5-(2-oxo-2H-1-benzopyran-3-yl)-1,2,4-oxadiazol-3-yl]phenyl}urea
N-(butan-2-yl)-N'-{4-[5-(2-oxo-2H-1-benzopyran-3-yl)-1,2,4-oxadiazol-3-yl]phenyl}urea
Compound characteristics
| Compound ID: | F532-0449 |
| Compound Name: | N-(butan-2-yl)-N'-{4-[5-(2-oxo-2H-1-benzopyran-3-yl)-1,2,4-oxadiazol-3-yl]phenyl}urea |
| Molecular Weight: | 404.42 |
| Molecular Formula: | C22 H20 N4 O4 |
| Smiles: | CCC(C)NC(Nc1ccc(cc1)c1nc(C2=Cc3ccccc3OC2=O)on1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1207 |
| logD: | 4.1207 |
| logSw: | -4.273 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.904 |
| InChI Key: | UPXCSFXCZPFCLV-ZDUSSCGKSA-N |