4-{[4-(propan-2-yl)phenyl]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-(propan-2-yl)phenyl]methyl}-1-sulfanylidene-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
4-{[4-(propan-2-yl)phenyl]methyl}-1-sulfanylidene-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Compound characteristics
| Compound ID: | C200-7012 |
| Compound Name: | 4-{[4-(propan-2-yl)phenyl]methyl}-1-sulfanylidene-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one |
| Molecular Weight: | 356.47 |
| Molecular Formula: | C17 H16 N4 O S2 |
| Smiles: | CC(C)c1ccc(CN2C3=NNC(N3c3ccsc3C2=O)=S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2564 |
| logD: | -2.1409 |
| logSw: | -4.1427 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.393 |
| InChI Key: | ISTIFWBZRCZPGV-UHFFFAOYSA-N |