4-{[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
4-{[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0018 |
| Compound Name: | 4-{[3-(2,3-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: | COc1cccc(c1OC)c1nc(CN2C(COc3ccccc23)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.6031 |
| logD: | 2.6031 |
| logSw: | -3.3289 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.759 |
| InChI Key: | QSPRWVIKAFCDTM-UHFFFAOYSA-N |