3-[2-oxo-2-(thiophen-2-yl)ethyl]-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-(thiophen-2-yl)ethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
3-[2-oxo-2-(thiophen-2-yl)ethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Compound characteristics
| Compound ID: | D243-0377 |
| Compound Name: | 3-[2-oxo-2-(thiophen-2-yl)ethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one |
| Molecular Weight: | 331.41 |
| Molecular Formula: | C15 H13 N3 O2 S2 |
| Smiles: | C1CCc2c(C1)c1C(N(CC(c3cccs3)=O)N=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.407 |
| logD: | 3.407 |
| logSw: | -3.8401 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.021 |
| InChI Key: | XTLKETBLSRQYEH-UHFFFAOYSA-N |