4-butyl-1-sulfanylidene-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Chemical Structure Depiction of
4-butyl-1-sulfanylidene-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
4-butyl-1-sulfanylidene-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Compound characteristics
Compound ID: | C200-7014 |
Compound Name: | 4-butyl-1-sulfanylidene-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one |
Molecular Weight: | 280.37 |
Molecular Formula: | C11 H12 N4 O S2 |
Smiles: | CCCCN1C2=NNC(N2c2ccsc2C1=O)=S |
Stereo: | ACHIRAL |
logP: | 2.5798 |
logD: | -4.4606 |
logSw: | -2.8685 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 44.643 |
InChI Key: | QGHXBPQTUHYQRN-UHFFFAOYSA-N |