2-{[5-(1-benzofuran-2-yl)-4-phenyl-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-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one
2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | J047-0144 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C26 H20 N4 O2 S |
| Smiles: | C1CN(C(CSc2nnc(c3cc4ccccc4o3)n2c2ccccc2)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 5.4008 |
| logD: | 5.4008 |
| logSw: | -6.4682 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.428 |
| InChI Key: | JSRQOTCEKVRKAV-UHFFFAOYSA-N |