3-({[5-(4-methyl-4H-furo[3,2-b]pyrrol-5-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[5-(4-methyl-4H-furo[3,2-b]pyrrol-5-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
3-({[5-(4-methyl-4H-furo[3,2-b]pyrrol-5-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | E634-1417 |
| Compound Name: | 3-({[5-(4-methyl-4H-furo[3,2-b]pyrrol-5-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C24 H19 N5 O S |
| Smiles: | Cc1ccccc1n1c(c2cc3c(cco3)n2C)nnc1SCc1cccc(C#N)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.5613 |
| logD: | 4.5613 |
| logSw: | -4.4436 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.475 |
| InChI Key: | RJGCGVPOPSDERW-UHFFFAOYSA-N |