N-benzyl-4-(2-{[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl}-1H-imidazol-1-yl)benzamide
Chemical Structure Depiction of
N-benzyl-4-(2-{[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl}-1H-imidazol-1-yl)benzamide
N-benzyl-4-(2-{[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl}-1H-imidazol-1-yl)benzamide
Compound characteristics
Compound ID: | F984-0023 |
Compound Name: | N-benzyl-4-(2-{[2-(3-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(Nc1cccc(C#N)c1)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.7627 |
logD: | 3.7615 |
logSw: | -4.2409 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 77.136 |
InChI Key: | YFZYEROXTAZSSX-UHFFFAOYSA-N |