N-{[2-(3-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-fluorobenzamide
Chemical Structure Depiction of
N-{[2-(3-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-fluorobenzamide
N-{[2-(3-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-fluorobenzamide
Compound characteristics
Compound ID: | F527-0708 |
Compound Name: | N-{[2-(3-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-fluorobenzamide |
Molecular Weight: | 414.84 |
Molecular Formula: | C19 H12 Cl F N4 O2 S |
Smiles: | C(C1=CC(N2C(=N1)SC(c1cccc(c1)[Cl])=N2)=O)NC(c1ccccc1F)=O |
Stereo: | ACHIRAL |
logP: | 3.7177 |
logD: | 3.7171 |
logSw: | -4.3808 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.684 |
InChI Key: | HKHLWNNCXZDVRE-UHFFFAOYSA-N |