N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 6232-1123 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 504.61 |
| Molecular Formula: | C27 H28 N4 O4 S |
| Smiles: | COc1ccc(CCNC(CSc2nnc(COc3ccccc3)n2c2ccccc2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.0288 |
| logD: | 3.0288 |
| logSw: | -3.3497 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.762 |
| InChI Key: | SNIGWOLQQWMGHC-UHFFFAOYSA-N |