N-(3,5-dimethoxyphenyl)-3-(3-nitro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Chemical Structure Depiction of
N-(3,5-dimethoxyphenyl)-3-(3-nitro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
N-(3,5-dimethoxyphenyl)-3-(3-nitro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | 6049-2601 |
| Compound Name: | N-(3,5-dimethoxyphenyl)-3-(3-nitro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide |
| Molecular Weight: | 427.46 |
| Molecular Formula: | C21 H25 N5 O5 |
| Smiles: | COc1cc(cc(c1)OC)NC(C12CC3CC(C1)CC(C3)(C2)n1cnc(n1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8843 |
| logD: | 3.8774 |
| logSw: | -4.1814 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.357 |
| InChI Key: | RMPGZGWQIXKLNC-UHFFFAOYSA-N |