1-(2,3-dihydro-1H-indol-1-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(2,3-dihydro-1H-indol-1-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
1-(2,3-dihydro-1H-indol-1-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | C677-0009 |
| Compound Name: | 1-(2,3-dihydro-1H-indol-1-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 457.6 |
| Molecular Formula: | C26 H27 N5 O S |
| Smiles: | Cn1cccc1Cc1nnc(n1CCc1ccccc1)SCC(N1CCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.29 |
| logD: | 4.29 |
| logSw: | -4.2868 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.244 |
| InChI Key: | BVPUMLYZFXJADI-UHFFFAOYSA-N |