4-phenyl-1-sulfanylidene-2,4,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Chemical Structure Depiction of
4-phenyl-1-sulfanylidene-2,4,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
4-phenyl-1-sulfanylidene-2,4,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Compound characteristics
| Compound ID: | 8004-3161 |
| Compound Name: | 4-phenyl-1-sulfanylidene-2,4,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one |
| Molecular Weight: | 354.45 |
| Molecular Formula: | C17 H14 N4 O S2 |
| Smiles: | C1CCc2c(C1)c1C(N(C3=NNC(N3c1s2)=S)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4674 |
| logD: | 0.9875 |
| logSw: | -3.9161 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.135 |
| InChI Key: | QUTZSNOFEQMSJC-UHFFFAOYSA-N |