N-benzyl-1-(4-chlorobenzene-1-sulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
Chemical Structure Depiction of
N-benzyl-1-(4-chlorobenzene-1-sulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
N-benzyl-1-(4-chlorobenzene-1-sulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
Compound characteristics
| Compound ID: | D116-0281 |
| Compound Name: | N-benzyl-1-(4-chlorobenzene-1-sulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine |
| Molecular Weight: | 425.89 |
| Molecular Formula: | C20 H16 Cl N5 O2 S |
| Smiles: | C(c1ccccc1)Nc1nc(c2cccnc2)nn1S(c1ccc(cc1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5018 |
| logD: | 3.1701 |
| logSw: | -4.052 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.751 |
| InChI Key: | DWIMMGBGEPAKCI-UHFFFAOYSA-N |