2-{[4-(benzylamino)quinazolin-2-yl]sulfanyl}-1-(4-bromophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[4-(benzylamino)quinazolin-2-yl]sulfanyl}-1-(4-bromophenyl)ethan-1-one
2-{[4-(benzylamino)quinazolin-2-yl]sulfanyl}-1-(4-bromophenyl)ethan-1-one
Compound characteristics
| Compound ID: | K297-0109 |
| Compound Name: | 2-{[4-(benzylamino)quinazolin-2-yl]sulfanyl}-1-(4-bromophenyl)ethan-1-one |
| Molecular Weight: | 464.38 |
| Molecular Formula: | C23 H18 Br N3 O S |
| Smiles: | C(c1ccccc1)Nc1c2ccccc2nc(n1)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.9596 |
| logD: | 5.9593 |
| logSw: | -6.2068 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.096 |
| InChI Key: | XGKCUZMXQCLCHL-UHFFFAOYSA-N |