3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-(2-ethoxyphenyl)adamantane-1-carboxamide
Chemical Structure Depiction of
3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-(2-ethoxyphenyl)adamantane-1-carboxamide
3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-(2-ethoxyphenyl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | Y508-8203 |
| Compound Name: | 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-(2-ethoxyphenyl)adamantane-1-carboxamide |
| Molecular Weight: | 400.91 |
| Molecular Formula: | C21 H25 Cl N4 O2 |
| Smiles: | CCOc1ccccc1NC(C12CC3CC(C1)CC(C3)(C2)n1cnc(n1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6775 |
| logD: | 4.6755 |
| logSw: | -4.6928 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.207 |
| InChI Key: | VMDRUJDUBBJSGZ-UHFFFAOYSA-N |