N-methyl-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}-N-phenylacetamide
Chemical Structure Depiction of
N-methyl-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}-N-phenylacetamide
N-methyl-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}-N-phenylacetamide
Compound characteristics
| Compound ID: | C794-1131 |
| Compound Name: | N-methyl-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}-N-phenylacetamide |
| Molecular Weight: | 501.67 |
| Molecular Formula: | C27 H27 N5 O S2 |
| Smiles: | Cc1cc(C)c(c(C)c1)n1c(c2cc3c(ccs3)n2C)nnc1SCC(N(C)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8747 |
| logD: | 5.8747 |
| logSw: | -5.3968 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.778 |
| InChI Key: | WJYGWDYTXPDBCI-UHFFFAOYSA-N |