2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-methyl-1H-indol-3-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-methyl-1H-indol-3-yl)ethan-1-one
2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-methyl-1H-indol-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8451-17205 |
| Compound Name: | 2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-methyl-1H-indol-3-yl)ethan-1-one |
| Molecular Weight: | 410.92 |
| Molecular Formula: | C21 H19 Cl N4 O S |
| Smiles: | CCn1c(c2ccc(cc2)[Cl])nnc1SCC(c1c2ccccc2[nH]c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0825 |
| logD: | 5.0825 |
| logSw: | -5.5981 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.138 |
| InChI Key: | BWSKVSUTEAHAJX-UHFFFAOYSA-N |