N-{4-[chloro(difluoro)methoxy]phenyl}-2-({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-{4-[chloro(difluoro)methoxy]phenyl}-2-({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-{4-[chloro(difluoro)methoxy]phenyl}-2-({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8016-9480 |
| Compound Name: | N-{4-[chloro(difluoro)methoxy]phenyl}-2-({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 487.87 |
| Molecular Formula: | C17 H16 Cl F2 N7 O4 S |
| Smiles: | Cc1ncc([N+]([O-])=O)n1Cc1nnc(n1C)SCC(Nc1ccc(cc1)OC(F)(F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1051 |
| logD: | 2.0803 |
| logSw: | -2.9913 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.395 |
| InChI Key: | XQKSPOHKDKSGDS-UHFFFAOYSA-N |