N-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-yl)-1-(methanesulfonyl)-1H-1,2,4-triazol-5-amine
Chemical Structure Depiction of
N-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-yl)-1-(methanesulfonyl)-1H-1,2,4-triazol-5-amine
N-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-yl)-1-(methanesulfonyl)-1H-1,2,4-triazol-5-amine
Compound characteristics
| Compound ID: | D331-0220 |
| Compound Name: | N-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-yl)-1-(methanesulfonyl)-1H-1,2,4-triazol-5-amine |
| Molecular Weight: | 378.4 |
| Molecular Formula: | C16 H18 N4 O5 S |
| Smiles: | COc1ccc(CNc2nc(c3ccco3)nn2S(C)(=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.3154 |
| logD: | 1.3154 |
| logSw: | -2.3038 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.837 |
| InChI Key: | HZZXOIPNZQXBST-UHFFFAOYSA-N |