N-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-methoxybenzene-1-sulfonamide
Chemical Structure Depiction of
N-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-methoxybenzene-1-sulfonamide
N-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-methoxybenzene-1-sulfonamide
Compound characteristics
| Compound ID: | Y200-5853 |
| Compound Name: | N-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-methoxybenzene-1-sulfonamide |
| Molecular Weight: | 396.83 |
| Molecular Formula: | C16 H14 Cl F N4 O3 S |
| Smiles: | COc1ccc(cc1)S(Nc1ncn(Cc2ccc(cc2[Cl])F)n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3661 |
| logD: | 2.4052 |
| logSw: | -3.5682 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.654 |
| InChI Key: | PESWVSSXXOAXDT-UHFFFAOYSA-N |