1-(2,3-dihydro-1H-indol-1-yl)-2-{[5-(4-methoxyphenyl)-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-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(2,3-dihydro-1H-indol-1-yl)-2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | G731-0627 |
| Compound Name: | 1-(2,3-dihydro-1H-indol-1-yl)-2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 366.44 |
| Molecular Formula: | C19 H18 N4 O2 S |
| Smiles: | COc1ccc(cc1)c1nnc([nH]1)SCC(N1CCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9422 |
| logD: | 1.7505 |
| logSw: | -3.4468 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.44 |
| InChI Key: | JWHNCCYBDHCWNF-UHFFFAOYSA-N |