4-[2-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-imidazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide
Chemical Structure Depiction of
4-[2-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-imidazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide
4-[2-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-imidazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | F984-0829 |
| Compound Name: | 4-[2-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-imidazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide |
| Molecular Weight: | 490.54 |
| Molecular Formula: | C25 H22 N4 O5 S |
| Smiles: | Cc1ccc(CNC(c2ccc(cc2)n2ccnc2SCC(Nc2ccc3c(c2)OCO3)=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.7923 |
| logD: | 3.7912 |
| logSw: | -4.0038 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.459 |
| InChI Key: | BCOMPNOPQVLBHB-UHFFFAOYSA-N |