N-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-yl)-1-(naphthalene-2-sulfonyl)-1H-1,2,4-triazol-5-amine
Chemical Structure Depiction of
N-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-yl)-1-(naphthalene-2-sulfonyl)-1H-1,2,4-triazol-5-amine
N-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-yl)-1-(naphthalene-2-sulfonyl)-1H-1,2,4-triazol-5-amine
Compound characteristics
| Compound ID: | D331-0228 |
| Compound Name: | N-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-yl)-1-(naphthalene-2-sulfonyl)-1H-1,2,4-triazol-5-amine |
| Molecular Weight: | 490.54 |
| Molecular Formula: | C25 H22 N4 O5 S |
| Smiles: | COc1ccc(CNc2nc(c3ccco3)nn2S(c2ccc3ccccc3c2)(=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.0706 |
| logD: | 4.0706 |
| logSw: | -4.1604 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.801 |
| InChI Key: | FLSQIMHZAXJXNG-UHFFFAOYSA-N |