1-(2,3-dihydro-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(2,3-dihydro-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(2,3-dihydro-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | G731-0022 |
| Compound Name: | 1-(2,3-dihydro-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 336.41 |
| Molecular Formula: | C18 H16 N4 O S |
| Smiles: | C1CN(C(CSc2nnc(c3ccccc3)[nH]2)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 2.8547 |
| logD: | 1.663 |
| logSw: | -3.407 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.897 |
| InChI Key: | ICIHOPYEWAJEAS-UHFFFAOYSA-N |