({5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Chemical Structure Depiction of
({5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
({5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Compound characteristics
| Compound ID: | 8017-5194 |
| Compound Name: | ({5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid |
| Molecular Weight: | 374.38 |
| Molecular Formula: | C15 H14 N6 O4 S |
| Smiles: | Cc1ncc([N+]([O-])=O)n1Cc1nnc(n1c1ccccc1)SCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5454 |
| logD: | -2.7471 |
| logSw: | -1.7101 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.066 |
| InChI Key: | YGXIGYGSDQLDRB-UHFFFAOYSA-N |