4-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one
4-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0045 |
| Compound Name: | 4-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 353.4 |
| Molecular Formula: | C18 H15 N3 O3 S |
| Smiles: | CSc1ccc(cc1)c1nc(CN2C(COc3ccccc23)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.7626 |
| logD: | 3.7626 |
| logSw: | -4.0784 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.411 |
| InChI Key: | ZOGGMDFQJOQWHG-UHFFFAOYSA-N |