N-(3,4-dichlorophenyl)-2-({4-[(furan-2-yl)methyl]-5-[(2-methyl-1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3,4-dichlorophenyl)-2-({4-[(furan-2-yl)methyl]-5-[(2-methyl-1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(3,4-dichlorophenyl)-2-({4-[(furan-2-yl)methyl]-5-[(2-methyl-1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | K822-0381 |
| Compound Name: | N-(3,4-dichlorophenyl)-2-({4-[(furan-2-yl)methyl]-5-[(2-methyl-1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 526.44 |
| Molecular Formula: | C25 H21 Cl2 N5 O2 S |
| Smiles: | Cc1c(Cc2nnc(n2Cc2ccco2)SCC(Nc2ccc(c(c2)[Cl])[Cl])=O)c2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 5.922 |
| logD: | 5.9138 |
| logSw: | -6.1251 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.77 |
| InChI Key: | RGAUUEKSORFSJA-UHFFFAOYSA-N |