1-(4-chlorobenzene-1-sulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine
Chemical Structure Depiction of
1-(4-chlorobenzene-1-sulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine
1-(4-chlorobenzene-1-sulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine
Compound characteristics
| Compound ID: | D331-0224 |
| Compound Name: | 1-(4-chlorobenzene-1-sulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine |
| Molecular Weight: | 474.92 |
| Molecular Formula: | C21 H19 Cl N4 O5 S |
| Smiles: | COc1ccc(CNc2nc(c3ccco3)nn2S(c2ccc(cc2)[Cl])(=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.5467 |
| logD: | 3.5467 |
| logSw: | -3.9623 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.073 |
| InChI Key: | HCSGGGIFQQPOAA-UHFFFAOYSA-N |