1-[3-({[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]ethan-1-one
Chemical Structure Depiction of
1-[3-({[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]ethan-1-one
1-[3-({[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]ethan-1-one
Compound characteristics
| Compound ID: | K297-0828 |
| Compound Name: | 1-[3-({[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]ethan-1-one |
| Molecular Weight: | 451.49 |
| Molecular Formula: | C24 H19 F2 N3 O2 S |
| Smiles: | CC(c1ccc(c(CSc2nc(c3ccccc3n2)Nc2ccc(c(c2)F)F)c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0678 |
| logD: | 6.0676 |
| logSw: | -5.7093 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.984 |
| InChI Key: | RZWXSRGFXUKKBO-UHFFFAOYSA-N |