2-(3-nitro-1H-1,2,4-triazol-1-yl)-4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine
Chemical Structure Depiction of
2-(3-nitro-1H-1,2,4-triazol-1-yl)-4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine
2-(3-nitro-1H-1,2,4-triazol-1-yl)-4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine
Compound characteristics
| Compound ID: | C226-4668 |
| Compound Name: | 2-(3-nitro-1H-1,2,4-triazol-1-yl)-4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine |
| Molecular Weight: | 342.26 |
| Molecular Formula: | C11 H5 F3 N6 O2 S |
| Smiles: | c1cc(c2cc(C(F)(F)F)nc(n2)n2cnc(n2)[N+]([O-])=O)sc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1408 |
| logD: | 3.1408 |
| logSw: | -3.4031 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.731 |
| InChI Key: | HSTKHXKEOMHDFU-UHFFFAOYSA-N |