methyl (8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetate
Chemical Structure Depiction of
methyl (8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetate
methyl (8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetate
Compound characteristics
| Compound ID: | C794-0021 |
| Compound Name: | methyl (8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetate |
| Molecular Weight: | 263.27 |
| Molecular Formula: | C11 H9 N3 O3 S |
| Smiles: | COC(CN1C(c2cc3c(ccs3)n2C=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5455 |
| logD: | 0.5455 |
| logSw: | -2.0149 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.552 |
| InChI Key: | QRXKJQPGMUUFBQ-UHFFFAOYSA-N |