3-(2-oxo-2-phenylethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Chemical Structure Depiction of
3-(2-oxo-2-phenylethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
3-(2-oxo-2-phenylethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Compound characteristics
| Compound ID: | D243-0241 |
| Compound Name: | 3-(2-oxo-2-phenylethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one |
| Molecular Weight: | 325.39 |
| Molecular Formula: | C17 H15 N3 O2 S |
| Smiles: | C1CCc2c(C1)c1C(N(CC(c3ccccc3)=O)N=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3292 |
| logD: | 3.3292 |
| logSw: | -3.7061 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.002 |
| InChI Key: | ABEWZJVIYUECSY-UHFFFAOYSA-N |