5-(2H-1,3-benzodioxol-5-yl)-3-benzyl-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-benzyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-(2H-1,3-benzodioxol-5-yl)-3-benzyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | 8014-9086 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-3-benzyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 395.46 |
| Molecular Formula: | C19 H13 N3 O3 S2 |
| Smiles: | C(c1ccccc1)N1C2=C(C(NC(c3ccc4c(c3)OCO4)=N2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.7563 |
| logD: | 3.7561 |
| logSw: | -4.2484 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.413 |
| InChI Key: | FWOACRFFZNUMIZ-UHFFFAOYSA-N |