N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C677-0042 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 489.6 |
| Molecular Formula: | C26 H27 N5 O3 S |
| Smiles: | Cn1cccc1Cc1nnc(n1CCc1ccccc1)SCC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1635 |
| logD: | 3.1635 |
| logSw: | -3.4665 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.794 |
| InChI Key: | SDHUBODRQANBJL-UHFFFAOYSA-N |