3-[4-(2-methoxyethyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-1H-indole
Chemical Structure Depiction of
3-[4-(2-methoxyethyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-1H-indole
3-[4-(2-methoxyethyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-1H-indole
Compound characteristics
| Compound ID: | G856-2719 |
| Compound Name: | 3-[4-(2-methoxyethyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-1H-indole |
| Molecular Weight: | 409.47 |
| Molecular Formula: | C20 H19 N5 O3 S |
| Smiles: | COCCn1c(c2c[nH]c3ccccc23)nnc1SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7832 |
| logD: | 3.7832 |
| logSw: | -3.931 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.814 |
| InChI Key: | XFOXZSLWWUACIQ-UHFFFAOYSA-N |