2-(3-bromophenyl)-5-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,3,4-oxadiazole
Chemical Structure Depiction of
2-(3-bromophenyl)-5-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,3,4-oxadiazole
2-(3-bromophenyl)-5-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,3,4-oxadiazole
Compound characteristics
| Compound ID: | 8008-8214 |
| Compound Name: | 2-(3-bromophenyl)-5-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,3,4-oxadiazole |
| Molecular Weight: | 491.2 |
| Molecular Formula: | C15 H6 Br F3 N4 O5 S |
| Smiles: | c1cc(cc(c1)[Br])c1nnc(o1)Sc1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9084 |
| logD: | 4.9084 |
| logSw: | -5.0713 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 96.225 |
| InChI Key: | OJMIJNJOZQHGNX-UHFFFAOYSA-N |