2-{[5-(4-methyl-4H-furo[3,2-b]pyrrol-5-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[5-(4-methyl-4H-furo[3,2-b]pyrrol-5-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
2-{[5-(4-methyl-4H-furo[3,2-b]pyrrol-5-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | E634-1430 |
| Compound Name: | 2-{[5-(4-methyl-4H-furo[3,2-b]pyrrol-5-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 471.58 |
| Molecular Formula: | C26 H25 N5 O2 S |
| Smiles: | Cc1ccc(CNC(CSc2nnc(c3cc4c(cco4)n3C)n2c2ccccc2C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4895 |
| logD: | 4.4895 |
| logSw: | -4.281 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.89 |
| InChI Key: | XXTDTIJGNUEWBE-UHFFFAOYSA-N |