2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | G731-0165 |
| Compound Name: | 2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one |
| Molecular Weight: | 370.86 |
| Molecular Formula: | C18 H15 Cl N4 O S |
| Smiles: | C1CN(C(CSc2nnc(c3ccccc3[Cl])[nH]2)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.2284 |
| logD: | 2.0367 |
| logSw: | -3.8071 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.897 |
| InChI Key: | OMDAHOBIUSOSGF-UHFFFAOYSA-N |