1-sulfanylidene-4-[(thiophen-2-yl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Chemical Structure Depiction of
1-sulfanylidene-4-[(thiophen-2-yl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
1-sulfanylidene-4-[(thiophen-2-yl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Compound characteristics
| Compound ID: | C200-7027 |
| Compound Name: | 1-sulfanylidene-4-[(thiophen-2-yl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one |
| Molecular Weight: | 320.41 |
| Molecular Formula: | C12 H8 N4 O S3 |
| Smiles: | C(c1cccs1)N1C2=NNC(N2c2ccsc2C1=O)=S |
| Stereo: | ACHIRAL |
| logP: | 2.5747 |
| logD: | -3.8971 |
| logSw: | -2.8523 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.411 |
| InChI Key: | RVHXVDAZFZEJSV-UHFFFAOYSA-N |