ethyl 2-{2-[(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamido}benzoate
ethyl 2-{2-[(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | E513-0074 |
| Compound Name: | ethyl 2-{2-[(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 412.49 |
| Molecular Formula: | C19 H16 N4 O3 S2 |
| Smiles: | CCOC(c1ccccc1NC(CSc1c2cc3c(ccs3)n2cnn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2311 |
| logD: | 3.214 |
| logSw: | -3.527 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.148 |
| InChI Key: | YEBVBGRBAITTCU-UHFFFAOYSA-N |