5-(2H-1,3-benzodioxol-5-yl)-3-(prop-2-en-1-yl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-3-(prop-2-en-1-yl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-(2H-1,3-benzodioxol-5-yl)-3-(prop-2-en-1-yl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | 8014-9090 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-3-(prop-2-en-1-yl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 345.4 |
| Molecular Formula: | C15 H11 N3 O3 S2 |
| Smiles: | C=CCN1C2=C(C(NC(c3ccc4c(c3)OCO4)=N2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 2.6401 |
| logD: | 2.64 |
| logSw: | -3.1706 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.663 |
| InChI Key: | VBKKOJLJGCLRDA-UHFFFAOYSA-N |