2-{[5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
Chemical Structure Depiction of
2-{[5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
2-{[5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
Compound characteristics
| Compound ID: | V010-0358 |
| Compound Name: | 2-{[5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide |
| Molecular Weight: | 390.5 |
| Molecular Formula: | C19 H26 N4 O3 S |
| Salt: | not_available |
| Smiles: | CCN(CC)C(CSc1nnc(c2cc(cc(c2)OC)OC)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1517 |
| logD: | 3.1517 |
| logSw: | -3.2709 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.983 |
| InChI Key: | RGTPRNDWHCIAAP-UHFFFAOYSA-N |