2-({4-benzyl-5-[(1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-bromophenyl)acetamide
Chemical Structure Depiction of
2-({4-benzyl-5-[(1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-bromophenyl)acetamide
2-({4-benzyl-5-[(1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-bromophenyl)acetamide
Compound characteristics
| Compound ID: | K822-0307 |
| Compound Name: | 2-({4-benzyl-5-[(1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-bromophenyl)acetamide |
| Molecular Weight: | 532.46 |
| Molecular Formula: | C26 H22 Br N5 O S |
| Smiles: | C(c1c[nH]c2ccccc12)c1nnc(n1Cc1ccccc1)SCC(Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6531 |
| logD: | 5.653 |
| logSw: | -6.0462 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.965 |
| InChI Key: | YDOQNDVEGOSMTQ-UHFFFAOYSA-N |