2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J031-1764 |
| Compound Name: | 2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 382.44 |
| Molecular Formula: | C19 H18 N4 O3 S |
| Smiles: | C1COc2ccc(cc2OC1)c1nnc(n1c1ccccc1)SCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0341 |
| logD: | 2.0341 |
| logSw: | -2.6947 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.526 |
| InChI Key: | AQQKIXSKAYVCLO-UHFFFAOYSA-N |