N-cycloheptyl-2-({5-[(3,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-cycloheptyl-2-({5-[(3,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-cycloheptyl-2-({5-[(3,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | Y205-6522 |
| Compound Name: | N-cycloheptyl-2-({5-[(3,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 402.56 |
| Molecular Formula: | C21 H30 N4 O2 S |
| Smiles: | Cc1cc(C)cc(c1)OCc1nnc(n1C)SCC(NC1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.908 |
| logD: | 3.908 |
| logSw: | -3.7636 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.054 |
| InChI Key: | IVLOVJCJJBLNRW-UHFFFAOYSA-N |