6-bromo-2-{[(6-fluoro-2H,4H-1,3-benzodioxin-7-yl)methyl]sulfanyl}-3-[(2-methoxyphenyl)methyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
6-bromo-2-{[(6-fluoro-2H,4H-1,3-benzodioxin-7-yl)methyl]sulfanyl}-3-[(2-methoxyphenyl)methyl]quinazolin-4(3H)-one
6-bromo-2-{[(6-fluoro-2H,4H-1,3-benzodioxin-7-yl)methyl]sulfanyl}-3-[(2-methoxyphenyl)methyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-1330 |
| Compound Name: | 6-bromo-2-{[(6-fluoro-2H,4H-1,3-benzodioxin-7-yl)methyl]sulfanyl}-3-[(2-methoxyphenyl)methyl]quinazolin-4(3H)-one |
| Molecular Weight: | 543.41 |
| Molecular Formula: | C25 H20 Br F N2 O4 S |
| Smiles: | COc1ccccc1CN1C(=Nc2ccc(cc2C1=O)[Br])SCc1cc2c(COCO2)cc1F |
| Stereo: | ACHIRAL |
| logP: | 5.6902 |
| logD: | 5.6902 |
| logSw: | -5.4346 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.606 |
| InChI Key: | UHIUFOJGNVCNLW-UHFFFAOYSA-N |