N-ethyl-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-ethyl-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-ethyl-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: | C794-1125 |
| Compound Name: | N-ethyl-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: | 515.7 |
| Molecular Formula: | C28 H29 N5 O S2 |
| Smiles: | CCN(C(CSc1nnc(c2cc3c(ccs3)n2C)n1c1c(C)cc(C)cc1C)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.7676 |
| logD: | 6.7676 |
| logSw: | -5.5531 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.756 |
| InChI Key: | NHWYKVOUWQFBLZ-UHFFFAOYSA-N |