2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1,2-diphenylethan-1-one
Chemical Structure Depiction of
2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1,2-diphenylethan-1-one
2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1,2-diphenylethan-1-one
Compound characteristics
| Compound ID: | 8451-04626 |
| Compound Name: | 2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1,2-diphenylethan-1-one |
| Molecular Weight: | 309.39 |
| Molecular Formula: | C17 H15 N3 O S |
| Smiles: | Cc1nnc([nH]1)SC(C(c1ccccc1)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1848 |
| logD: | 2.7259 |
| logSw: | -3.2559 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.825 |
| InChI Key: | NELACKPYIURSBY-MRXNPFEDSA-N |