3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-[3-(2-methylphenoxy)-5-nitrophenyl]adamantane-1-carboxamide
Chemical Structure Depiction of
3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-[3-(2-methylphenoxy)-5-nitrophenyl]adamantane-1-carboxamide
3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-[3-(2-methylphenoxy)-5-nitrophenyl]adamantane-1-carboxamide
Compound characteristics
| Compound ID: | K061-1057 |
| Compound Name: | 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-[3-(2-methylphenoxy)-5-nitrophenyl]adamantane-1-carboxamide |
| Molecular Weight: | 507.98 |
| Molecular Formula: | C26 H26 Cl N5 O4 |
| Smiles: | Cc1ccccc1Oc1cc(cc(c1)[N+]([O-])=O)NC(C12CC3CC(C1)CC(C3)(C2)n1cnc(n1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.1969 |
| logD: | 6.1694 |
| logSw: | -6.1315 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.911 |
| InChI Key: | WLOLHRGDABZGEN-UHFFFAOYSA-N |