cyclopentyl (4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetate
Chemical Structure Depiction of
cyclopentyl (4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetate
cyclopentyl (4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetate
Compound characteristics
| Compound ID: | D243-0363 |
| Compound Name: | cyclopentyl (4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetate |
| Molecular Weight: | 333.41 |
| Molecular Formula: | C16 H19 N3 O3 S |
| Smiles: | C1CCC(C1)OC(CN1C(c2c3CCCCc3sc2N=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0503 |
| logD: | 3.0503 |
| logSw: | -3.1597 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.882 |
| InChI Key: | GRNORDCZAIZWOV-UHFFFAOYSA-N |