3-methyl-5-{[(naphthalen-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
3-methyl-5-{[(naphthalen-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole
3-methyl-5-{[(naphthalen-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y020-0862 |
| Compound Name: | 3-methyl-5-{[(naphthalen-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 255.34 |
| Molecular Formula: | C14 H13 N3 S |
| Smiles: | Cc1nnc([nH]1)SCc1cccc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 2.9217 |
| logD: | 2.4722 |
| logSw: | -3.2343 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.087 |
| InChI Key: | UANPLHUXEGZCJF-UHFFFAOYSA-N |