4-(2-{[2-(2-cyanoanilino)-2-oxoethyl]sulfanyl}-1H-imidazol-1-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide
Chemical Structure Depiction of
4-(2-{[2-(2-cyanoanilino)-2-oxoethyl]sulfanyl}-1H-imidazol-1-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide
4-(2-{[2-(2-cyanoanilino)-2-oxoethyl]sulfanyl}-1H-imidazol-1-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | F984-0834 |
| Compound Name: | 4-(2-{[2-(2-cyanoanilino)-2-oxoethyl]sulfanyl}-1H-imidazol-1-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide |
| Molecular Weight: | 471.54 |
| Molecular Formula: | C25 H21 N5 O3 S |
| Smiles: | Cc1ccc(CNC(c2ccc(cc2)n2ccnc2SCC(Nc2ccccc2C#N)=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.3764 |
| logD: | 3.3746 |
| logSw: | -3.8322 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.701 |
| InChI Key: | SAFHXLUPFUIFDC-UHFFFAOYSA-N |