6-methyl-4-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-methyl-4-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
6-methyl-4-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0225 |
| Compound Name: | 6-methyl-4-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 327.36 |
| Molecular Formula: | C16 H13 N3 O3 S |
| Smiles: | Cc1ccc2c(c1)N(Cc1nc(c3cccs3)no1)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1955 |
| logD: | 3.1955 |
| logSw: | -3.2418 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.43 |
| InChI Key: | ZLKXXVAGRQUFHP-UHFFFAOYSA-N |