1-(2,3-dihydro-1H-indol-1-yl)-2-({4-(2,3-dimethylphenyl)-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-(2,3-dimethylphenyl)-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-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | C592-2828 |
| Compound Name: | 1-(2,3-dihydro-1H-indol-1-yl)-2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 457.6 |
| Molecular Formula: | C26 H27 N5 O S |
| Smiles: | Cc1cccc(c1C)n1c(Cc2cccn2C)nnc1SCC(N1CCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8037 |
| logD: | 4.8031 |
| logSw: | -4.4643 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.708 |
| InChI Key: | RTFWEWAWUXEIMW-UHFFFAOYSA-N |