N-(4-bromo-2-fluorophenyl)-2-[(5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-2-[(5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide
N-(4-bromo-2-fluorophenyl)-2-[(5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | E513-0880 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-2-[(5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide |
| Molecular Weight: | 451.34 |
| Molecular Formula: | C17 H12 Br F N4 O S2 |
| Smiles: | Cc1nnc(c2cc3c(ccs3)n12)SCC(Nc1ccc(cc1F)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7912 |
| logD: | 3.7792 |
| logSw: | -3.9302 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.566 |
| InChI Key: | KSLQGQRNTWPFGW-UHFFFAOYSA-N |