2-{[5-(furan-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(furan-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethan-1-one
2-{[5-(furan-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | V012-8338 |
| Compound Name: | 2-{[5-(furan-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethan-1-one |
| Molecular Weight: | 389.47 |
| Molecular Formula: | C22 H19 N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)C(CSc1nnc(c2ccco2)n1c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.711 |
| logD: | 4.711 |
| logSw: | -4.4051 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.538 |
| InChI Key: | GPQMAMJDWLXLFM-UHFFFAOYSA-N |