N-{4-[5-(3,4-dimethoxyphenyl)-1H-1,2,3-triazol-1-yl]phenyl}adamantane-1-carboxamide
Chemical Structure Depiction of
N-{4-[5-(3,4-dimethoxyphenyl)-1H-1,2,3-triazol-1-yl]phenyl}adamantane-1-carboxamide
N-{4-[5-(3,4-dimethoxyphenyl)-1H-1,2,3-triazol-1-yl]phenyl}adamantane-1-carboxamide
Compound characteristics
| Compound ID: | K415-0188 |
| Compound Name: | N-{4-[5-(3,4-dimethoxyphenyl)-1H-1,2,3-triazol-1-yl]phenyl}adamantane-1-carboxamide |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C27 H30 N4 O3 |
| Smiles: | COc1ccc(cc1OC)c1cnnn1c1ccc(cc1)NC(C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5766 |
| logD: | 5.5765 |
| logSw: | -5.3844 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.608 |
| InChI Key: | VZYRKTXRWMGQHC-UHFFFAOYSA-N |