ethyl 4-[2-({4-ethyl-5-[(2-methyl-1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 4-[2-({4-ethyl-5-[(2-methyl-1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
ethyl 4-[2-({4-ethyl-5-[(2-methyl-1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | K822-0419 |
| Compound Name: | ethyl 4-[2-({4-ethyl-5-[(2-methyl-1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C25 H27 N5 O3 S |
| Smiles: | CCn1c(Cc2c3ccccc3[nH]c2C)nnc1SCC(Nc1ccc(cc1)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.494 |
| logD: | 4.4931 |
| logSw: | -4.2209 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.771 |
| InChI Key: | KRTFYZSXHFOXJX-UHFFFAOYSA-N |