N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-{[(3-fluorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]butanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-{[(3-fluorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]butanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-{[(3-fluorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]butanamide
Compound characteristics
| Compound ID: | K284-3273 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-{[(3-fluorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]butanamide |
| Molecular Weight: | 535.64 |
| Molecular Formula: | C29 H30 F N3 O4 S |
| Smiles: | COc1ccc(CCNC(CCCN2C(=Nc3ccccc3C2=O)SCc2cccc(c2)F)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.071 |
| logD: | 3.071 |
| logSw: | -3.5789 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.323 |
| InChI Key: | KXJHJAZZFRHOCP-UHFFFAOYSA-N |