3-{3-[(propan-2-yl)oxy]propyl}-2-sulfanylidene-2,3-dihydropteridin-4(1H)-one
Chemical Structure Depiction of
3-{3-[(propan-2-yl)oxy]propyl}-2-sulfanylidene-2,3-dihydropteridin-4(1H)-one
3-{3-[(propan-2-yl)oxy]propyl}-2-sulfanylidene-2,3-dihydropteridin-4(1H)-one
Compound characteristics
| Compound ID: | C200-2760 |
| Compound Name: | 3-{3-[(propan-2-yl)oxy]propyl}-2-sulfanylidene-2,3-dihydropteridin-4(1H)-one |
| Molecular Weight: | 280.35 |
| Molecular Formula: | C12 H16 N4 O2 S |
| Smiles: | CC(C)OCCCN1C(c2c(NC1=S)nccn2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9621 |
| logD: | 0.8518 |
| logSw: | -2.2546 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.301 |
| InChI Key: | LCCBGAULMWIWMU-UHFFFAOYSA-N |