N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C592-4015 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C21 H25 N5 O4 S |
| Smiles: | Cn1cccc1Cc1nnc(n1CCOC)SCC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0451 |
| logD: | 2.045 |
| logSw: | -2.7499 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.022 |
| InChI Key: | RHLJIEUOHIREJP-UHFFFAOYSA-N |