2-[(1,3-benzoxazol-2-yl)sulfanyl]-1-[5-methyl-7-(trifluoromethyl)-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl]ethan-1-one
Chemical Structure Depiction of
2-[(1,3-benzoxazol-2-yl)sulfanyl]-1-[5-methyl-7-(trifluoromethyl)-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl]ethan-1-one
2-[(1,3-benzoxazol-2-yl)sulfanyl]-1-[5-methyl-7-(trifluoromethyl)-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8015-5075 |
| Compound Name: | 2-[(1,3-benzoxazol-2-yl)sulfanyl]-1-[5-methyl-7-(trifluoromethyl)-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl]ethan-1-one |
| Molecular Weight: | 397.38 |
| Molecular Formula: | C16 H14 F3 N5 O2 S |
| Smiles: | CC1CC(C(F)(F)F)n2c(ncn2)N1C(CSc1nc2ccccc2o1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2746 |
| logD: | 3.2746 |
| logSw: | -3.5139 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.508 |
| InChI Key: | NUQCBJNKTMSTIO-UHFFFAOYSA-N |