2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide
2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide
Compound characteristics
Compound ID: | G856-7830 |
Compound Name: | 2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide |
Molecular Weight: | 417.53 |
Molecular Formula: | C23 H23 N5 O S |
Smiles: | Cc1cccc(c1C)NC(CSc1nnc(Cc2ccccc2)n1n1cccc1)=O |
Stereo: | ACHIRAL |
logP: | 4.2243 |
logD: | 4.2243 |
logSw: | -4.3085 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 57.574 |
InChI Key: | JWEGOUUMULDXBY-UHFFFAOYSA-N |