1-(1H-indol-3-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(1H-indol-3-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(1H-indol-3-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8013-5493 |
| Compound Name: | 1-(1H-indol-3-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 258.3 |
| Molecular Formula: | C12 H10 N4 O S |
| Smiles: | C(C(c1c[nH]c2ccccc12)=O)Sc1nnc[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 1.3637 |
| logD: | 0.9984 |
| logSw: | -2.3088 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.51 |
| InChI Key: | KZJOXGNPTZTHHF-UHFFFAOYSA-N |