2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | G432-0012 |
| Compound Name: | 2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 414.43 |
| Molecular Formula: | C16 H13 F3 N4 O2 S2 |
| Smiles: | CC1=NN2C(=NC(CSCC(Nc3cccc(c3)C(F)(F)F)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.6148 |
| logD: | 3.6118 |
| logSw: | -3.8994 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.593 |
| InChI Key: | OFEIQUSTLZJQQY-UHFFFAOYSA-N |