N-(2-ethylphenyl)-2-{[5-(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)-4-(2,4,6-trimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-ethylphenyl)-2-{[5-(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)-4-(2,4,6-trimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2-ethylphenyl)-2-{[5-(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)-4-(2,4,6-trimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C794-1130 |
| Compound Name: | N-(2-ethylphenyl)-2-{[5-(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)-4-(2,4,6-trimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 515.7 |
| Molecular Formula: | C28 H29 N5 O S2 |
| Smiles: | CCc1ccccc1NC(CSc1nnc(c2cc3c(ccs3)n2C)n1c1c(C)cc(C)cc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9326 |
| logD: | 6.9326 |
| logSw: | -5.5689 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.116 |
| InChI Key: | DPEUCJWTRMRMHJ-UHFFFAOYSA-N |