3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}quinazolin-4(3H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-0638 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 478.5 |
| Molecular Formula: | C25 H19 F N2 O5 S |
| Smiles: | C(c1ccc2c(c1)OCO2)N1C(=Nc2ccccc2C1=O)SCc1cc(cc2COCOc12)F |
| Stereo: | ACHIRAL |
| logP: | 4.8334 |
| logD: | 4.8334 |
| logSw: | -4.8184 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.776 |
| InChI Key: | HJILDCBXSISDHT-UHFFFAOYSA-N |