4-[(4-ethylphenyl)methyl]-1-sulfanylidene-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Chemical Structure Depiction of
4-[(4-ethylphenyl)methyl]-1-sulfanylidene-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
4-[(4-ethylphenyl)methyl]-1-sulfanylidene-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Compound characteristics
| Compound ID: | C200-7013 |
| Compound Name: | 4-[(4-ethylphenyl)methyl]-1-sulfanylidene-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one |
| Molecular Weight: | 342.44 |
| Molecular Formula: | C16 H14 N4 O S2 |
| Smiles: | CCc1ccc(CN2C3=NNC(N3c3ccsc3C2=O)=S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8489 |
| logD: | -2.5485 |
| logSw: | -3.8755 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.393 |
| InChI Key: | YVTZLRLJSQQRQV-UHFFFAOYSA-N |