5-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1-phenyl-1H-tetrazole
Chemical Structure Depiction of
5-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1-phenyl-1H-tetrazole
5-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1-phenyl-1H-tetrazole
Compound characteristics
| Compound ID: | 8008-4224 |
| Compound Name: | 5-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1-phenyl-1H-tetrazole |
| Molecular Weight: | 412.3 |
| Molecular Formula: | C14 H7 F3 N6 O4 S |
| Smiles: | c1ccc(cc1)n1c(nnn1)Sc1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7482 |
| logD: | 3.7482 |
| logSw: | -4.247 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 106.05 |
| InChI Key: | HOOIEDHOBBCUSL-UHFFFAOYSA-N |