N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[7-(4-ethoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[7-(4-ethoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[7-(4-ethoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F595-0422 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[7-(4-ethoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C22 H23 N5 O4 S |
| Smiles: | CCOc1ccc(cc1)N1CCn2c1nnc2SCC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3014 |
| logD: | 3.2696 |
| logSw: | -3.5114 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.433 |
| InChI Key: | YSBLCXMOWQNQFJ-UHFFFAOYSA-N |