4-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
4-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0017 |
| Compound Name: | 4-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 367.36 |
| Molecular Formula: | C19 H17 N3 O5 |
| Smiles: | COc1ccc(cc1OC)c1nc(CN2C(COc3ccccc23)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.6658 |
| logD: | 2.6658 |
| logSw: | -3.0637 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.672 |
| InChI Key: | FXKJDVYUPNZQIO-UHFFFAOYSA-N |