ethyl 4-[2-({4-[(furan-2-yl)methyl]-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-[(furan-2-yl)methyl]-5-[(2-methyl-1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
ethyl 4-[2-({4-[(furan-2-yl)methyl]-5-[(2-methyl-1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | K822-0401 |
| Compound Name: | ethyl 4-[2-({4-[(furan-2-yl)methyl]-5-[(2-methyl-1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 529.62 |
| Molecular Formula: | C28 H27 N5 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nnc(Cc2c3ccccc3[nH]c2C)n1Cc1ccco1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0491 |
| logD: | 5.049 |
| logSw: | -4.8349 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.523 |
| InChI Key: | FHLCQWDHTMDFBZ-UHFFFAOYSA-N |