N-[(4-fluorophenyl)methyl]-1-(4-methylbenzene-1-sulfonyl)-3-phenyl-1H-1,2,4-triazol-5-amine
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-1-(4-methylbenzene-1-sulfonyl)-3-phenyl-1H-1,2,4-triazol-5-amine
N-[(4-fluorophenyl)methyl]-1-(4-methylbenzene-1-sulfonyl)-3-phenyl-1H-1,2,4-triazol-5-amine
Compound characteristics
| Compound ID: | 6855-0179 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-1-(4-methylbenzene-1-sulfonyl)-3-phenyl-1H-1,2,4-triazol-5-amine |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C22 H19 F N4 O2 S |
| Smiles: | Cc1ccc(cc1)S(n1c(NCc2ccc(cc2)F)nc(c2ccccc2)n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.735 |
| logD: | 4.735 |
| logSw: | -4.5442 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.234 |
| InChI Key: | SJICGIFMAWHQMQ-UHFFFAOYSA-N |