1-(3,4-dihydroxyphenyl)-2-{[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroxyphenyl)-2-{[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanyl}ethan-1-one
1-(3,4-dihydroxyphenyl)-2-{[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | K297-0866 |
| Compound Name: | 1-(3,4-dihydroxyphenyl)-2-{[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C24 H21 N3 O5 S |
| Smiles: | COc1cc(cc(c1)OC)Nc1c2ccccc2nc(n1)SCC(c1ccc(c(c1)O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0259 |
| logD: | 4.8435 |
| logSw: | -4.5437 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.958 |
| InChI Key: | OLLUUBHGYLRMEX-UHFFFAOYSA-N |