2-methyl-4-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-methyl-4-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
2-methyl-4-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0387 |
| Compound Name: | 2-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: | CC1C(N(Cc2nc(c3cccs3)no2)c2ccccc2O1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2122 |
| logD: | 3.2122 |
| logSw: | -3.5797 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.433 |
| InChI Key: | URHZEMXJOHEEBP-SNVBAGLBSA-N |