N-(2H-1,3-benzodioxol-5-yl)-2-({4-benzyl-5-[2-(piperidin-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-({4-benzyl-5-[2-(piperidin-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-({4-benzyl-5-[2-(piperidin-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | D284-0274 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-({4-benzyl-5-[2-(piperidin-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 479.6 |
| Molecular Formula: | C25 H29 N5 O3 S |
| Smiles: | C1CCN(CC1)CCc1nnc(n1Cc1ccccc1)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6417 |
| logD: | 2.2532 |
| logSw: | -3.895 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.193 |
| InChI Key: | FUUOVCWZMVHKQN-UHFFFAOYSA-N |