N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]quinazolin-3(4H)-yl}butanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]quinazolin-3(4H)-yl}butanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]quinazolin-3(4H)-yl}butanamide
Compound characteristics
| Compound ID: | K284-3275 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]quinazolin-3(4H)-yl}butanamide |
| Molecular Weight: | 545.66 |
| Molecular Formula: | C30 H31 N3 O5 S |
| Smiles: | COc1ccc(CCNC(CCCN2C(=Nc3ccccc3C2=O)SCC(c2ccccc2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.3689 |
| logD: | 2.3689 |
| logSw: | -3.1 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.57 |
| InChI Key: | RSIMZAGUTNSRHG-UHFFFAOYSA-N |