2-[2-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-5-(hydroxymethyl)-1H-imidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[2-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-5-(hydroxymethyl)-1H-imidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
2-[2-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-5-(hydroxymethyl)-1H-imidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F711-0606 |
| Compound Name: | 2-[2-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-5-(hydroxymethyl)-1H-imidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 482.56 |
| Molecular Formula: | C24 H26 N4 O5 S |
| Smiles: | Cc1ccc(CNC(Cn2c(CO)cnc2SCC(Nc2ccc3c(c2)OCCO3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.593 |
| logD: | 1.5927 |
| logSw: | -2.4214 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.803 |
| InChI Key: | VYPUPWNNCWDNOO-UHFFFAOYSA-N |