2-[2-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-5-(hydroxymethyl)-1H-imidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[2-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-5-(hydroxymethyl)-1H-imidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
2-[2-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-5-(hydroxymethyl)-1H-imidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F711-0605 |
| Compound Name: | 2-[2-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-5-(hydroxymethyl)-1H-imidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 468.53 |
| Molecular Formula: | C23 H24 N4 O5 S |
| Smiles: | Cc1ccc(CNC(Cn2c(CO)cnc2SCC(Nc2ccc3c(c2)OCO3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4535 |
| logD: | 2.4532 |
| logSw: | -2.7246 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.095 |
| InChI Key: | MLPJLGQFCCOREW-UHFFFAOYSA-N |