2-{[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-methyl-1H-indol-3-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-methyl-1H-indol-3-yl)ethan-1-one
2-{[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-methyl-1H-indol-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8451-17208 |
| Compound Name: | 2-{[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-methyl-1H-indol-3-yl)ethan-1-one |
| Molecular Weight: | 378.45 |
| Molecular Formula: | C20 H18 N4 O2 S |
| Smiles: | Cc1c(C(CSc2nnc(c3ccccc3OC)[nH]2)=O)c2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.0758 |
| logD: | 2.0062 |
| logSw: | -3.5577 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.277 |
| InChI Key: | DPQINAZCVHAYIB-UHFFFAOYSA-N |