2-({[2-(2-methylpropyl)-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-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
2-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | G432-0102 |
| Compound Name: | 2-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 456.51 |
| Molecular Formula: | C19 H19 F3 N4 O2 S2 |
| Smiles: | CC(C)CC1=NN2C(=NC(CSCC(Nc3cccc(c3)C(F)(F)F)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.8319 |
| logD: | 4.8302 |
| logSw: | -4.5487 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.324 |
| InChI Key: | NYUMKXWEPQHSQA-UHFFFAOYSA-N |