N-[2-(3,4-diethoxyphenyl)ethyl]-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-[2-(3,4-diethoxyphenyl)ethyl]-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8013-3356 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 472.63 |
| Molecular Formula: | C23 H28 N4 O3 S2 |
| Smiles: | CCOc1ccc(CCNC(CSc2nnc(c3cccs3)n2CC=C)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 3.2259 |
| logD: | 3.2259 |
| logSw: | -3.3316 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.971 |
| InChI Key: | WYYXCCOIHWYXQZ-UHFFFAOYSA-N |