N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8013-2180 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 439.54 |
| Molecular Formula: | C22 H25 N5 O3 S |
| Smiles: | COc1ccc(CCNC(CSc2nnc(c3cccnc3)n2CC=C)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.5337 |
| logD: | 1.5212 |
| logSw: | -1.8729 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.311 |
| InChI Key: | RQFDJVRZHYEVRX-UHFFFAOYSA-N |