N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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: | 8017-8367 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 445.46 |
| Molecular Formula: | C18 H19 N7 O5 S |
| Smiles: | Cc1ncc([N+]([O-])=O)n1Cc1nnc(n1C)SCC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.09 |
| logD: | 0.0652 |
| logSw: | -2.4481 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.721 |
| InChI Key: | QYZNXJMJYIUVIK-UHFFFAOYSA-N |