2-({[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
Chemical Structure Depiction of
2-({[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
2-({[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
Compound characteristics
| Compound ID: | 6602-0009 |
| Compound Name: | 2-({[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole |
| Molecular Weight: | 347.44 |
| Molecular Formula: | C19 H17 N5 S |
| Smiles: | C=CCn1c(c2ccccc2)nnc1SCc1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 4.3656 |
| logD: | 4.2948 |
| logSw: | -4.4847 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.501 |
| InChI Key: | LYYIWECEKNWYFE-UHFFFAOYSA-N |