N-{1-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-N'-methylthiourea
Chemical Structure Depiction of
N-{1-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-N'-methylthiourea
N-{1-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-N'-methylthiourea
Compound characteristics
| Compound ID: | Y500-8851 |
| Compound Name: | N-{1-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-N'-methylthiourea |
| Molecular Weight: | 265.31 |
| Molecular Formula: | C11 H12 F N5 S |
| Smiles: | CNC(Nc1ncn(Cc2cccc(c2)F)n1)=S |
| Stereo: | ACHIRAL |
| logP: | 1.5174 |
| logD: | 1.5159 |
| logSw: | -1.9545 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.027 |
| InChI Key: | WHAGLCRQUKDSMX-UHFFFAOYSA-N |