N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}sulfanyl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | F680-0617 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C26 H23 N3 O4 S |
| Smiles: | Cc1ccc(CN2C(C(=Nc3ccccc23)SCC(NCc2ccc3c(c2)OCO3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.112 |
| logD: | 4.112 |
| logSw: | -4.2117 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.185 |
| InChI Key: | XZUBGILKKUOBFV-UHFFFAOYSA-N |