4-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
4-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0221 |
| Compound Name: | 4-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 365.34 |
| Molecular Formula: | C19 H15 N3 O5 |
| Smiles: | Cc1ccc2c(c1)N(Cc1nc(c3ccc4c(c3)OCO4)no1)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4547 |
| logD: | 3.4547 |
| logSw: | -3.6333 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.527 |
| InChI Key: | PWMNMUSYTZHEMY-UHFFFAOYSA-N |