N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8012-3399 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 492.57 |
| Molecular Formula: | C26 H25 F N4 O3 S |
| Smiles: | COc1ccc(CCNC(CSc2nnc(c3cccc(c3)F)n2c2ccccc2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.7601 |
| logD: | 3.7601 |
| logSw: | -4.004 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.286 |
| InChI Key: | CHONZSZOGUMNCG-UHFFFAOYSA-N |