3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-sulfanylidene-2,3-dihydropteridin-4(1H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-sulfanylidene-2,3-dihydropteridin-4(1H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-sulfanylidene-2,3-dihydropteridin-4(1H)-one
Compound characteristics
| Compound ID: | C200-2764 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-sulfanylidene-2,3-dihydropteridin-4(1H)-one |
| Molecular Weight: | 314.32 |
| Molecular Formula: | C14 H10 N4 O3 S |
| Smiles: | C(c1ccc2c(c1)OCO2)N1C(c2c(NC1=S)nccn2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7671 |
| logD: | 1.7288 |
| logSw: | -2.7302 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.966 |
| InChI Key: | HQGGKVKQSRVJRS-UHFFFAOYSA-N |