N-[1-(adamantan-1-yl)ethyl]-2-({5-[(4-methoxyphenyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-2-({5-[(4-methoxyphenyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-[1-(adamantan-1-yl)ethyl]-2-({5-[(4-methoxyphenyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8014-7185 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-2-({5-[(4-methoxyphenyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 516.71 |
| Molecular Formula: | C30 H36 N4 O2 S |
| Smiles: | CC(C12CC3CC(CC(C3)C2)C1)NC(CSc1nnc(Cc2ccc(cc2)OC)n1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4762 |
| logD: | 5.4762 |
| logSw: | -5.5032 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.9 |
| InChI Key: | GPGSMJCLQAOARI-JXBUFBJBSA-N |