6-{5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-4-propyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-{5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-4-propyl-2H-1,4-benzoxazin-3(4H)-one
6-{5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-4-propyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L834-1102 |
| Compound Name: | 6-{5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-4-propyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 379.41 |
| Molecular Formula: | C21 H21 N3 O4 |
| Smiles: | CCCN1C(COc2ccc(cc12)c1nc(Cc2cccc(c2)OC)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0414 |
| logD: | 4.0414 |
| logSw: | -4.2699 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.933 |
| InChI Key: | YWUVHXHUKTWHDO-UHFFFAOYSA-N |