N-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-yl)-1-(4-methylbenzene-1-sulfonyl)-1H-1,2,4-triazol-5-amine
Chemical Structure Depiction of
N-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-yl)-1-(4-methylbenzene-1-sulfonyl)-1H-1,2,4-triazol-5-amine
N-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-yl)-1-(4-methylbenzene-1-sulfonyl)-1H-1,2,4-triazol-5-amine
Compound characteristics
| Compound ID: | D331-0223 |
| Compound Name: | N-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-yl)-1-(4-methylbenzene-1-sulfonyl)-1H-1,2,4-triazol-5-amine |
| Molecular Weight: | 454.5 |
| Molecular Formula: | C22 H22 N4 O5 S |
| Smiles: | Cc1ccc(cc1)S(n1c(NCc2ccc(c(c2)OC)OC)nc(c2ccco2)n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3754 |
| logD: | 3.3754 |
| logSw: | -3.7727 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.073 |
| InChI Key: | AKYDQMPNMSKZRF-UHFFFAOYSA-N |