N-(3,4-dichlorophenyl)-2-({5-[(2-methyl-1H-indol-3-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3,4-dichlorophenyl)-2-({5-[(2-methyl-1H-indol-3-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(3,4-dichlorophenyl)-2-({5-[(2-methyl-1H-indol-3-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | K822-0277 |
| Compound Name: | N-(3,4-dichlorophenyl)-2-({5-[(2-methyl-1H-indol-3-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 486.42 |
| Molecular Formula: | C23 H21 Cl2 N5 O S |
| Smiles: | Cc1c(Cc2nnc(n2CC=C)SCC(Nc2ccc(c(c2)[Cl])[Cl])=O)c2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 5.5786 |
| logD: | 5.5705 |
| logSw: | -5.9863 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.271 |
| InChI Key: | GXFNWDVGICXGJX-UHFFFAOYSA-N |