1-(2,3-dihydro-1H-indol-1-yl)-2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(2,3-dihydro-1H-indol-1-yl)-2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
1-(2,3-dihydro-1H-indol-1-yl)-2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | C592-3966 |
| Compound Name: | 1-(2,3-dihydro-1H-indol-1-yl)-2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C21 H25 N5 O2 S |
| Smiles: | Cn1cccc1Cc1nnc(n1CCOC)SCC(N1CCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5497 |
| logD: | 2.5497 |
| logSw: | -2.4709 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.859 |
| InChI Key: | SLRIMJOGCPILJJ-UHFFFAOYSA-N |