ethyl 2-{2-[(5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[(5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamido}benzoate
ethyl 2-{2-[(5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | E513-0854 |
| Compound Name: | ethyl 2-{2-[(5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 426.51 |
| Molecular Formula: | C20 H18 N4 O3 S2 |
| Smiles: | CCOC(c1ccccc1NC(CSc1c2cc3c(ccs3)n2c(C)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3789 |
| logD: | 3.3604 |
| logSw: | -3.674 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.32 |
| InChI Key: | HLERBAKVUMVYRP-UHFFFAOYSA-N |