1-(3,4-dihydroxyphenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroxyphenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one
1-(3,4-dihydroxyphenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | K297-0489 |
| Compound Name: | 1-(3,4-dihydroxyphenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 491.57 |
| Molecular Formula: | C26 H25 N3 O5 S |
| Smiles: | COc1ccc(CCNc2c3ccccc3nc(n2)SCC(c2ccc(c(c2)O)O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.3302 |
| logD: | 4.1476 |
| logSw: | -4.1007 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.295 |
| InChI Key: | INNPQGWKDJYXIX-UHFFFAOYSA-N |