2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenylpiperazin-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-(4-phenylpiperazin-1-yl)ethan-1-one
2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | J047-0579 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 495.6 |
| Molecular Formula: | C28 H25 N5 O2 S |
| Smiles: | C1CN(CCN1C(CSc1nnc(c2cc3ccccc3o2)n1c1ccccc1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1999 |
| logD: | 5.1999 |
| logSw: | -6.0412 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.658 |
| InChI Key: | BXRONWUJZPXDKY-UHFFFAOYSA-N |