N-cycloheptyl-2-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-cycloheptyl-2-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-cycloheptyl-2-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | Y206-0759 |
| Compound Name: | N-cycloheptyl-2-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 282.41 |
| Molecular Formula: | C13 H22 N4 O S |
| Smiles: | Cc1nnc(n1C)SCC(NC1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5703 |
| logD: | 1.5703 |
| logSw: | -2.0683 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.627 |
| InChI Key: | CBXRLVWOXJQDMP-UHFFFAOYSA-N |