2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one
Chemical Structure Depiction of
2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one
2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C592-2635 |
| Compound Name: | 2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one |
| Molecular Weight: | 443.57 |
| Molecular Formula: | C25 H25 N5 O S |
| Smiles: | Cn1cccc1Cc1nnc(n1Cc1ccccc1)SCC(N1CCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1406 |
| logD: | 4.1406 |
| logSw: | -4.1641 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.266 |
| InChI Key: | XVISMSSRLDYDIJ-UHFFFAOYSA-N |