N-{2-[5-(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-N'-[(4-fluorophenyl)methyl]-N-methylurea
Chemical Structure Depiction of
N-{2-[5-(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-N'-[(4-fluorophenyl)methyl]-N-methylurea
N-{2-[5-(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-N'-[(4-fluorophenyl)methyl]-N-methylurea
Compound characteristics
| Compound ID: | SC01-0097 |
| Compound Name: | N-{2-[5-(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-N'-[(4-fluorophenyl)methyl]-N-methylurea |
| Molecular Weight: | 428.47 |
| Molecular Formula: | C21 H25 F N6 O3 |
| Smiles: | CCn1c2CCOCc2c(c2nc(CCN(C)C(NCc3ccc(cc3)F)=O)no2)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.5156 |
| logD: | 1.5156 |
| logSw: | -2.03 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.962 |
| InChI Key: | DGGLKZCDCKKCGU-UHFFFAOYSA-N |