4-{2-[2-{[(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]ethyl}benzene-1-sulfonamide
Chemical Structure Depiction of
4-{2-[2-{[(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]ethyl}benzene-1-sulfonamide
4-{2-[2-{[(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]ethyl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | K284-1373 |
| Compound Name: | 4-{2-[2-{[(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]ethyl}benzene-1-sulfonamide |
| Molecular Weight: | 527.59 |
| Molecular Formula: | C25 H22 F N3 O5 S2 |
| Smiles: | C(CN1C(=Nc2ccccc2C1=O)SCc1cc(cc2COCOc12)F)c1ccc(cc1)S(N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4219 |
| logD: | 3.4211 |
| logSw: | -3.9643 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.242 |
| InChI Key: | BFNDQHZEOQSJBJ-UHFFFAOYSA-N |