3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-{3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl}adamantane-1-carboxamide
Chemical Structure Depiction of
3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-{3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl}adamantane-1-carboxamide
3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-{3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl}adamantane-1-carboxamide
Compound characteristics
| Compound ID: | 8006-7793 |
| Compound Name: | 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-{3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl}adamantane-1-carboxamide |
| Molecular Weight: | 561.95 |
| Molecular Formula: | C26 H23 Cl F3 N5 O4 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)n1cnc(n1)[Cl])C(Nc1cc(cc(c1)Oc1cccc(c1)C(F)(F)F)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.9065 |
| logD: | 6.879 |
| logSw: | -6.7816 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.824 |
| InChI Key: | GHBVFAHVPSPZDT-UHFFFAOYSA-N |