methyl (4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetate
Chemical Structure Depiction of
methyl (4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetate
methyl (4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetate
Compound characteristics
| Compound ID: | 6197-5910 |
| Compound Name: | methyl (4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetate |
| Molecular Weight: | 279.31 |
| Molecular Formula: | C12 H13 N3 O3 S |
| Smiles: | COC(CN1C(c2c3CCCCc3sc2N=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0026 |
| logD: | 2.0026 |
| logSw: | -1.9767 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.606 |
| InChI Key: | BCHOQEWTUBEHHB-UHFFFAOYSA-N |