2-{[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
2-{[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | K297-0856 |
| Compound Name: | 2-{[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one |
| Molecular Weight: | 425.43 |
| Molecular Formula: | C22 H14 F3 N3 O S |
| Smiles: | C(C(c1ccc(cc1)F)=O)Sc1nc(c2ccccc2n1)Nc1ccc(c(c1)F)F |
| Stereo: | ACHIRAL |
| logP: | 5.9417 |
| logD: | 5.9416 |
| logSw: | -6.2578 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.774 |
| InChI Key: | BRKWOWXQZRWDAT-UHFFFAOYSA-N |