2-{[(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-3-(2-phenylethyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-3-(2-phenylethyl)quinazolin-4(3H)-one
2-{[(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-3-(2-phenylethyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-0757 |
| Compound Name: | 2-{[(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-3-(2-phenylethyl)quinazolin-4(3H)-one |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C25 H21 F N2 O3 S |
| Smiles: | C(CN1C(=Nc2ccccc2C1=O)SCc1cc(cc2COCOc12)F)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0613 |
| logD: | 5.0613 |
| logSw: | -4.9043 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.639 |
| InChI Key: | OLJOBMWBYXZRPB-UHFFFAOYSA-N |