1-(2-methyl-1H-indol-3-yl)-2-({4-methyl-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(2-methyl-1H-indol-3-yl)-2-({4-methyl-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
1-(2-methyl-1H-indol-3-yl)-2-({4-methyl-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | 7525-1029 |
| Compound Name: | 1-(2-methyl-1H-indol-3-yl)-2-({4-methyl-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 382.5 |
| Molecular Formula: | C19 H18 N4 O S2 |
| Smiles: | Cc1c(C(CSc2nnc(Cc3cccs3)n2C)=O)c2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.1114 |
| logD: | 3.1114 |
| logSw: | -3.3165 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.218 |
| InChI Key: | HXHMCSHFNXJQAP-UHFFFAOYSA-N |