4-{[4-(methylsulfanyl)phenyl]methylidene}-2-(naphthalen-1-yl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-{[4-(methylsulfanyl)phenyl]methylidene}-2-(naphthalen-1-yl)-1,3-oxazol-5(4H)-one
4-{[4-(methylsulfanyl)phenyl]methylidene}-2-(naphthalen-1-yl)-1,3-oxazol-5(4H)-one
Compound characteristics
Compound ID: | K076-1536 |
Compound Name: | 4-{[4-(methylsulfanyl)phenyl]methylidene}-2-(naphthalen-1-yl)-1,3-oxazol-5(4H)-one |
Molecular Weight: | 345.42 |
Molecular Formula: | C21 H15 N O2 S |
Smiles: | CSc1ccc(\C=C2/C(=O)OC(c3cccc4ccccc34)=N2)cc1 |
Stereo: | ACHIRAL |
logP: | 4.898 |
logD: | 4.898 |
logSw: | -5.3821 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 30.104 |
InChI Key: | NLZVPOPLEFJQAA-UHFFFAOYSA-N |