N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanamide
Compound characteristics
| Compound ID: | K284-2455 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanamide |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C22 H25 N3 O4 S |
| Smiles: | COc1ccc(CCNC(CCCN2C(c3ccccc3NC2=S)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.6404 |
| logD: | 1.6393 |
| logSw: | -2.708 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.87 |
| InChI Key: | FRQGQEFWJLEAJM-UHFFFAOYSA-N |