3-[2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
Chemical Structure Depiction of
3-[2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
3-[2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
Compound characteristics
| Compound ID: | K284-4405 |
| Compound Name: | 3-[2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide |
| Molecular Weight: | 563.63 |
| Molecular Formula: | C29 H29 N3 O7 S |
| Smiles: | COc1ccc(CCNC(CCN2C(=Nc3ccccc3C2=O)SCC(c2ccc(c(c2)O)O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.058 |
| logD: | 1.8756 |
| logSw: | -2.8158 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 111.666 |
| InChI Key: | PMVAAGVDCWCIMV-UHFFFAOYSA-N |