N-{[2-(4-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-{[2-(4-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-(trifluoromethyl)benzamide
N-{[2-(4-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | F527-0339 |
| Compound Name: | N-{[2-(4-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-(trifluoromethyl)benzamide |
| Molecular Weight: | 444.43 |
| Molecular Formula: | C21 H15 F3 N4 O2 S |
| Smiles: | Cc1ccc(cc1)C1=NN2C(=NC(CNC(c3ccccc3C(F)(F)F)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.8941 |
| logD: | 3.8608 |
| logSw: | -4.0681 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.684 |
| InChI Key: | MXBQFAVNPACJBW-UHFFFAOYSA-N |