2-methyl-4-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-methyl-4-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one
2-methyl-4-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0423 |
| Compound Name: | 2-methyl-4-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 367.42 |
| Molecular Formula: | C19 H17 N3 O3 S |
| Smiles: | CC1C(N(Cc2nc(c3ccc(cc3)SC)no2)c2ccccc2O1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2701 |
| logD: | 4.2701 |
| logSw: | -4.3987 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.415 |
| InChI Key: | NMZPRBOCAJPFLK-GFCCVEGCSA-N |