2-({[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
Chemical Structure Depiction of
2-({[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
2-({[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
Compound characteristics
| Compound ID: | 8012-0434 |
| Compound Name: | 2-({[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole |
| Molecular Weight: | 337.4 |
| Molecular Formula: | C17 H15 N5 O S |
| Smiles: | C=CCn1c(c2ccco2)nnc1SCc1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.4201 |
| logD: | 3.3493 |
| logSw: | -3.6782 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.079 |
| InChI Key: | CVQRGPMDTVSPHG-UHFFFAOYSA-N |