N-[3-(4-chlorophenoxy)-5-nitrophenyl]-3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Chemical Structure Depiction of
N-[3-(4-chlorophenoxy)-5-nitrophenyl]-3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
N-[3-(4-chlorophenoxy)-5-nitrophenyl]-3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | 8007-0425 |
| Compound Name: | N-[3-(4-chlorophenoxy)-5-nitrophenyl]-3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide |
| Molecular Weight: | 528.39 |
| Molecular Formula: | C25 H23 Cl2 N5 O4 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)n1cnc(n1)[Cl])C(Nc1cc(cc(c1)Oc1ccc(cc1)[Cl])[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.7642 |
| logD: | 6.7366 |
| logSw: | -6.6047 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.824 |
| InChI Key: | HIPNBJFMASBFEX-UHFFFAOYSA-N |