pentyl (4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetate
Chemical Structure Depiction of
pentyl (4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetate
pentyl (4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetate
Compound characteristics
| Compound ID: | 6197-5930 |
| Compound Name: | pentyl (4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetate |
| Molecular Weight: | 335.42 |
| Molecular Formula: | C16 H21 N3 O3 S |
| Smiles: | CCCCCOC(CN1C(c2c3CCCCc3sc2N=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9596 |
| logD: | 3.9596 |
| logSw: | -4.0075 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.48 |
| InChI Key: | QRPNIKXFXWOSLN-UHFFFAOYSA-N |