3-fluoro-N-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}benzamide
Chemical Structure Depiction of
3-fluoro-N-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}benzamide
3-fluoro-N-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}benzamide
Compound characteristics
Compound ID: | F527-0583 |
Compound Name: | 3-fluoro-N-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}benzamide |
Molecular Weight: | 410.42 |
Molecular Formula: | C20 H15 F N4 O3 S |
Smiles: | COc1ccc(cc1)C1=NN2C(=NC(CNC(c3cccc(c3)F)=O)=CC2=O)S1 |
Stereo: | ACHIRAL |
logP: | 2.9052 |
logD: | 2.9043 |
logSw: | -3.5636 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 70.228 |
InChI Key: | MPJSOOBOROAMBW-UHFFFAOYSA-N |