(5-ethylthiophen-2-yl)[7-(3-nitrophenyl)-5-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanone
Chemical Structure Depiction of
(5-ethylthiophen-2-yl)[7-(3-nitrophenyl)-5-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanone
(5-ethylthiophen-2-yl)[7-(3-nitrophenyl)-5-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanone
Compound characteristics
| Compound ID: | Y503-1321 |
| Compound Name: | (5-ethylthiophen-2-yl)[7-(3-nitrophenyl)-5-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanone |
| Molecular Weight: | 449.41 |
| Molecular Formula: | C19 H14 F3 N5 O3 S |
| Smiles: | CCc1ccc(C(C2C(c3cccc(c3)[N+]([O-])=O)n3c(NC=2C(F)(F)F)ncn3)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8193 |
| logD: | 2.7386 |
| logSw: | -4.6395 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.358 |
| InChI Key: | ZFZPKPKFVKRYJY-HNNXBMFYSA-N |