4-ethyl-6-{5-[4-(propan-2-yl)phenyl]-1,2,4-oxadiazol-3-yl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-ethyl-6-{5-[4-(propan-2-yl)phenyl]-1,2,4-oxadiazol-3-yl}-2H-1,4-benzoxazin-3(4H)-one
4-ethyl-6-{5-[4-(propan-2-yl)phenyl]-1,2,4-oxadiazol-3-yl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L834-0632 |
| Compound Name: | 4-ethyl-6-{5-[4-(propan-2-yl)phenyl]-1,2,4-oxadiazol-3-yl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 363.41 |
| Molecular Formula: | C21 H21 N3 O3 |
| Smiles: | CCN1C(COc2ccc(cc12)c1nc(c2ccc(cc2)C(C)C)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8574 |
| logD: | 4.8574 |
| logSw: | -4.6615 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.47 |
| InChI Key: | BBGFVEIOZWOWLP-UHFFFAOYSA-N |