3-ethyl-2-{[(5,6,7-triethoxy-3-oxo-1,3-dihydro-2-benzofuran-4-yl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-ethyl-2-{[(5,6,7-triethoxy-3-oxo-1,3-dihydro-2-benzofuran-4-yl)methyl]sulfanyl}quinazolin-4(3H)-one
3-ethyl-2-{[(5,6,7-triethoxy-3-oxo-1,3-dihydro-2-benzofuran-4-yl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 8019-8799 |
| Compound Name: | 3-ethyl-2-{[(5,6,7-triethoxy-3-oxo-1,3-dihydro-2-benzofuran-4-yl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 484.57 |
| Molecular Formula: | C25 H28 N2 O6 S |
| Smiles: | CCN1C(=Nc2ccccc2C1=O)SCc1c2C(=O)OCc2c(c(c1OCC)OCC)OCC |
| Stereo: | ACHIRAL |
| logP: | 4.4501 |
| logD: | 4.4501 |
| logSw: | -4.5817 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.23 |
| InChI Key: | SOOOWWAEINJSLJ-UHFFFAOYSA-N |