3-(3-methylbutyl)-2-sulfanylidene-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-(3-methylbutyl)-2-sulfanylidene-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one
3-(3-methylbutyl)-2-sulfanylidene-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | C200-3814 |
| Compound Name: | 3-(3-methylbutyl)-2-sulfanylidene-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 288.37 |
| Molecular Formula: | C15 H16 N2 O2 S |
| Smiles: | CC(C)CCN1C(c2c(c3ccccc3o2)NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6807 |
| logD: | 3.6769 |
| logSw: | -4.001 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.463 |
| InChI Key: | QBRBWMZQUIWRCK-UHFFFAOYSA-N |