1-(4-bromophenyl)-2-{[4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-bromophenyl)-2-{[4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]sulfanyl}ethan-1-one
1-(4-bromophenyl)-2-{[4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | K297-0621 |
| Compound Name: | 1-(4-bromophenyl)-2-{[4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 540.43 |
| Molecular Formula: | C25 H22 Br N3 O4 S |
| Smiles: | COc1cc(cc(c1OC)OC)Nc1c2ccccc2nc(n1)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7704 |
| logD: | 5.7704 |
| logSw: | -5.7618 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.752 |
| InChI Key: | QGEXSGKOABBHMR-UHFFFAOYSA-N |