N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2,6-dimethoxybenzamide
Chemical Structure Depiction of
N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2,6-dimethoxybenzamide
N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2,6-dimethoxybenzamide
Compound characteristics
| Compound ID: | F938-0029 |
| Compound Name: | N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2,6-dimethoxybenzamide |
| Molecular Weight: | 480.97 |
| Molecular Formula: | C24 H21 Cl N4 O3 S |
| Smiles: | COc1cccc(c1C(Nc1ccccc1Sc1nc(nn1Cc1ccccc1)[Cl])=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.5776 |
| logD: | 4.5768 |
| logSw: | -5.0524 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.723 |
| InChI Key: | LRUGKWRWVOKMNI-UHFFFAOYSA-N |