N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]butanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]butanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]butanamide
Compound characteristics
| Compound ID: | K284-3290 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]butanamide |
| Molecular Weight: | 563.65 |
| Molecular Formula: | C30 H30 F N3 O5 S |
| Smiles: | COc1ccc(CCNC(CCCN2C(=Nc3ccccc3C2=O)SCC(c2ccc(cc2)F)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.503 |
| logD: | 2.503 |
| logSw: | -3.0234 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.57 |
| InChI Key: | FJMKQEHYZNXKGZ-UHFFFAOYSA-N |