3-[2-(4-chlorophenyl)-2-oxoethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Chemical Structure Depiction of
3-[2-(4-chlorophenyl)-2-oxoethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
3-[2-(4-chlorophenyl)-2-oxoethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Compound characteristics
| Compound ID: | D243-0229 |
| Compound Name: | 3-[2-(4-chlorophenyl)-2-oxoethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one |
| Molecular Weight: | 359.83 |
| Molecular Formula: | C17 H14 Cl N3 O2 S |
| Smiles: | C1CCc2c(C1)c1C(N(CC(c3ccc(cc3)[Cl])=O)N=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.029 |
| logD: | 4.029 |
| logSw: | -4.9453 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.002 |
| InChI Key: | WPIBVXFNKNFWMO-UHFFFAOYSA-N |