2-ethyl-7-[(4-{[2-(3-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenoxy)methyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-ethyl-7-[(4-{[2-(3-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenoxy)methyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-ethyl-7-[(4-{[2-(3-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenoxy)methyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
Compound ID: | C679-1778 |
Compound Name: | 2-ethyl-7-[(4-{[2-(3-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenoxy)methyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
Molecular Weight: | 472.52 |
Molecular Formula: | C25 H20 N4 O4 S |
Smiles: | CCC1=NN2C(=NC(COc3ccc(\C=C4/C(=O)OC(c5cccc(C)c5)=N4)cc3)=CC2=O)S1 |
Stereo: | ACHIRAL |
logP: | 4.093 |
logD: | 4.0865 |
logSw: | -4.2696 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 75.811 |
InChI Key: | WKSFHQOYBVVQGQ-UHFFFAOYSA-N |