N-(3,4-dichlorophenyl)-2-{[5-(2,3-dimethyl-1H-indol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3,4-dichlorophenyl)-2-{[5-(2,3-dimethyl-1H-indol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3,4-dichlorophenyl)-2-{[5-(2,3-dimethyl-1H-indol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K822-0254 |
| Compound Name: | N-(3,4-dichlorophenyl)-2-{[5-(2,3-dimethyl-1H-indol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 474.41 |
| Molecular Formula: | C22 H21 Cl2 N5 O S |
| Smiles: | CCn1c(c2ccc3c(c2)c(C)c(C)[nH]3)nnc1SCC(Nc1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.0806 |
| logD: | 6.0724 |
| logSw: | -6.2805 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.041 |
| InChI Key: | NHRKHSNKNQCAER-UHFFFAOYSA-N |