3-ethyl-5-{4-[(prop-2-en-1-yl)oxy]phenyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-ethyl-5-{4-[(prop-2-en-1-yl)oxy]phenyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-ethyl-5-{4-[(prop-2-en-1-yl)oxy]phenyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | 8017-5536 |
| Compound Name: | 3-ethyl-5-{4-[(prop-2-en-1-yl)oxy]phenyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 345.44 |
| Molecular Formula: | C16 H15 N3 O2 S2 |
| Smiles: | CCN1C2=C(C(NC(c3ccc(cc3)OCC=C)=N2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.1424 |
| logD: | 3.1416 |
| logSw: | -3.3819 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.711 |
| InChI Key: | SFBAWQJBCMDEDG-UHFFFAOYSA-N |