5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2,1,3-benzoxadiazole
Chemical Structure Depiction of
5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2,1,3-benzoxadiazole
5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2,1,3-benzoxadiazole
Compound characteristics
| Compound ID: | 8013-1201 |
| Compound Name: | 5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2,1,3-benzoxadiazole |
| Molecular Weight: | 247.28 |
| Molecular Formula: | C10 H9 N5 O S |
| Smiles: | Cn1cnnc1SCc1ccc2c(c1)non2 |
| Stereo: | ACHIRAL |
| logP: | 1.7185 |
| logD: | 1.7185 |
| logSw: | -2.1606 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.052 |
| InChI Key: | HTVLMGXUIDJWFQ-UHFFFAOYSA-N |