4-benzyl-1-sulfanylidene-2,4,7,8-tetrahydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Chemical Structure Depiction of
4-benzyl-1-sulfanylidene-2,4,7,8-tetrahydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
4-benzyl-1-sulfanylidene-2,4,7,8-tetrahydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Compound characteristics
| Compound ID: | 8009-5763 |
| Compound Name: | 4-benzyl-1-sulfanylidene-2,4,7,8-tetrahydro-6H-cyclopenta[4,5]thieno[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: | C1Cc2c3C(N(Cc4ccccc4)C4=NNC(N4c3sc2C1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6522 |
| logD: | -0.746 |
| logSw: | -4.1994 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.112 |
| InChI Key: | DNYKMRAPSBESLL-UHFFFAOYSA-N |