1-(3-methoxyphenyl)-2-({4-methyl-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(3-methoxyphenyl)-2-({4-methyl-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
1-(3-methoxyphenyl)-2-({4-methyl-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | 8014-1679 |
| Compound Name: | 1-(3-methoxyphenyl)-2-({4-methyl-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 389.39 |
| Molecular Formula: | C15 H15 N7 O4 S |
| Smiles: | Cn1c(Cn2cnc(n2)[N+]([O-])=O)nnc1SCC(c1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1065 |
| logD: | 1.1064 |
| logSw: | -2.3341 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 103.485 |
| InChI Key: | OOBLHZCAOFLBBJ-UHFFFAOYSA-N |