2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methylfuran-2-yl)ethan-1-one
Chemical Structure Depiction of
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methylfuran-2-yl)ethan-1-one
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methylfuran-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8015-1003 |
| Compound Name: | 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methylfuran-2-yl)ethan-1-one |
| Molecular Weight: | 375.45 |
| Molecular Formula: | C21 H17 N3 O2 S |
| Smiles: | Cc1ccc(C(CSc2nnc(c3ccccc3)n2c2ccccc2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.5801 |
| logD: | 4.5801 |
| logSw: | -4.4342 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.052 |
| InChI Key: | ADKNRDUGVFOVHV-UHFFFAOYSA-N |