2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-6-nitro-1H-benzimidazole
Chemical Structure Depiction of
2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-6-nitro-1H-benzimidazole
2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-6-nitro-1H-benzimidazole
Compound characteristics
| Compound ID: | 6996-1592 |
| Compound Name: | 2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-6-nitro-1H-benzimidazole |
| Molecular Weight: | 290.3 |
| Molecular Formula: | C11 H10 N6 O2 S |
| Smiles: | Cn1cnnc1SCc1nc2ccc(cc2[nH]1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.75 |
| logD: | 1.7493 |
| logSw: | -2.4216 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.396 |
| InChI Key: | RRMLVMZKTQYGQP-UHFFFAOYSA-N |