ethyl 2-{2-[(5-ethylthieno[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-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamido}benzoate
ethyl 2-{2-[(5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | E513-1010 |
| Compound Name: | ethyl 2-{2-[(5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 440.54 |
| Molecular Formula: | C21 H20 N4 O3 S2 |
| Smiles: | CCc1nnc(c2cc3c(ccs3)n12)SCC(Nc1ccccc1C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0091 |
| logD: | 3.99 |
| logSw: | -4.11 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.519 |
| InChI Key: | CEOOBBVSSONZER-UHFFFAOYSA-N |