N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2,5-dimethoxybenzene-1-sulfonamide
Chemical Structure Depiction of
N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2,5-dimethoxybenzene-1-sulfonamide
N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2,5-dimethoxybenzene-1-sulfonamide
Compound characteristics
| Compound ID: | D439-0402 |
| Compound Name: | N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2,5-dimethoxybenzene-1-sulfonamide |
| Molecular Weight: | 408.86 |
| Molecular Formula: | C17 H17 Cl N4 O4 S |
| Smiles: | COc1ccc(c(c1)S(Nc1ncn(Cc2ccc(cc2)[Cl])n1)(=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.9112 |
| logD: | 1.4815 |
| logSw: | -3.576 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.284 |
| InChI Key: | SOHDLVCIXJYRSC-UHFFFAOYSA-N |