3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}quinazolin-4(3H)-one
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-0705 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 508.57 |
| Molecular Formula: | C27 H25 F N2 O5 S |
| Smiles: | COc1ccc(CCN2C(=Nc3ccccc3C2=O)SCc2cc(cc3COCOc23)F)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.5783 |
| logD: | 4.5783 |
| logSw: | -4.4063 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.899 |
| InChI Key: | PKLFDDXXSSVRAP-UHFFFAOYSA-N |