N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzene-1-sulfonyl)-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine
Chemical Structure Depiction of
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzene-1-sulfonyl)-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzene-1-sulfonyl)-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine
Compound characteristics
| Compound ID: | D331-0225 |
| Compound Name: | N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzene-1-sulfonyl)-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine |
| Molecular Weight: | 458.47 |
| Molecular Formula: | C21 H19 F N4 O5 S |
| Smiles: | COc1ccc(CNc2nc(c3ccco3)nn2S(c2ccc(cc2)F)(=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.9811 |
| logD: | 2.9811 |
| logSw: | -3.4447 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.073 |
| InChI Key: | YVTRSLOWUDWGMN-UHFFFAOYSA-N |