N-[(4-benzyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-fluorobenzamide
Chemical Structure Depiction of
N-[(4-benzyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-fluorobenzamide
N-[(4-benzyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-fluorobenzamide
Compound characteristics
| Compound ID: | 2515-5769 |
| Compound Name: | N-[(4-benzyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-fluorobenzamide |
| Molecular Weight: | 342.39 |
| Molecular Formula: | C17 H15 F N4 O S |
| Smiles: | C(C1=NNC(N1Cc1ccccc1)=S)NC(c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3712 |
| logD: | 3.3128 |
| logSw: | -3.8702 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.125 |
| InChI Key: | VJUFRBLQEJLCDX-UHFFFAOYSA-N |