N-[(4-fluorophenyl)methyl]-1-(4-methylbenzene-1-sulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-1-(4-methylbenzene-1-sulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
N-[(4-fluorophenyl)methyl]-1-(4-methylbenzene-1-sulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
Compound characteristics
| Compound ID: | D116-0356 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-1-(4-methylbenzene-1-sulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C21 H18 F N5 O2 S |
| Smiles: | Cc1ccc(cc1)S(n1c(NCc2ccc(cc2)F)nc(c2cccnc2)n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3595 |
| logD: | 3.0278 |
| logSw: | -3.5256 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.751 |
| InChI Key: | MBNIUEVSGVCPJB-UHFFFAOYSA-N |