N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({1-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)-1H-imidazol-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({1-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)-1H-imidazol-2-yl}sulfanyl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({1-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)-1H-imidazol-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | G621-0578 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({1-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)-1H-imidazol-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 445.92 |
| Molecular Formula: | C21 H20 Cl N3 O4 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CSc1ncc(CO)n1Cc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2212 |
| logD: | 3.2187 |
| logSw: | -3.3259 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.946 |
| InChI Key: | MLBPJGADZWBXJI-UHFFFAOYSA-N |