7-methyl-4-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-methyl-4-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
7-methyl-4-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0170 |
| Compound Name: | 7-methyl-4-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 322.32 |
| Molecular Formula: | C17 H14 N4 O3 |
| Smiles: | Cc1ccc2c(c1)OCC(N2Cc1nc(c2ccncc2)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3439 |
| logD: | 2.3438 |
| logSw: | -2.5019 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.839 |
| InChI Key: | TXOJKKHBBOKKTJ-UHFFFAOYSA-N |