2-({5-[4-(1H-benzimidazol-2-yl)butyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethan-1-one
Chemical Structure Depiction of
2-({5-[4-(1H-benzimidazol-2-yl)butyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethan-1-one
2-({5-[4-(1H-benzimidazol-2-yl)butyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethan-1-one
Compound characteristics
| Compound ID: | 8018-6681 |
| Compound Name: | 2-({5-[4-(1H-benzimidazol-2-yl)butyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethan-1-one |
| Molecular Weight: | 467.59 |
| Molecular Formula: | C27 H25 N5 O S |
| Smiles: | C(CCc1nnc(n1c1ccccc1)SCC(c1ccccc1)=O)Cc1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 4.8506 |
| logD: | 4.828 |
| logSw: | -4.85 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.217 |
| InChI Key: | YRBPIQJMLSHZBS-UHFFFAOYSA-N |