N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-oxo-2-{[(pyridin-3-yl)methyl]sulfanyl}quinazolin-3(4H)-yl]propanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-oxo-2-{[(pyridin-3-yl)methyl]sulfanyl}quinazolin-3(4H)-yl]propanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-oxo-2-{[(pyridin-3-yl)methyl]sulfanyl}quinazolin-3(4H)-yl]propanamide
Compound characteristics
| Compound ID: | K284-4179 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-oxo-2-{[(pyridin-3-yl)methyl]sulfanyl}quinazolin-3(4H)-yl]propanamide |
| Molecular Weight: | 504.61 |
| Molecular Formula: | C27 H28 N4 O4 S |
| Smiles: | COc1ccc(CCNC(CCN2C(=Nc3ccccc3C2=O)SCc2cccnc2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.9125 |
| logD: | 1.8999 |
| logSw: | -2.5164 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.841 |
| InChI Key: | IAUQFIOKIOQECJ-UHFFFAOYSA-N |