N-benzyl-4-(2-{[2-(4-cyanoanilino)-2-oxoethyl]sulfanyl}-1H-imidazol-1-yl)benzamide
Chemical Structure Depiction of
N-benzyl-4-(2-{[2-(4-cyanoanilino)-2-oxoethyl]sulfanyl}-1H-imidazol-1-yl)benzamide
N-benzyl-4-(2-{[2-(4-cyanoanilino)-2-oxoethyl]sulfanyl}-1H-imidazol-1-yl)benzamide
Compound characteristics
| Compound ID: | F984-0024 |
| Compound Name: | N-benzyl-4-(2-{[2-(4-cyanoanilino)-2-oxoethyl]sulfanyl}-1H-imidazol-1-yl)benzamide |
| Molecular Weight: | 467.55 |
| Molecular Formula: | C26 H21 N5 O2 S |
| Smiles: | C(c1ccccc1)NC(c1ccc(cc1)n1ccnc1SCC(Nc1ccc(C#N)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5561 |
| logD: | 3.5549 |
| logSw: | -3.9078 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.136 |
| InChI Key: | URWREMOMUOBOMR-UHFFFAOYSA-N |