N-cyclopentyl-2-({5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-cyclopentyl-2-({5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-cyclopentyl-2-({5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8017-4590 |
| Compound Name: | N-cyclopentyl-2-({5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 441.51 |
| Molecular Formula: | C20 H23 N7 O3 S |
| Smiles: | Cc1ncc([N+]([O-])=O)n1Cc1nnc(n1c1ccccc1)SCC(NC1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8966 |
| logD: | 1.8956 |
| logSw: | -2.2566 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.973 |
| InChI Key: | XKXMZVUNDCRRRU-UHFFFAOYSA-N |