3-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-0146 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 342.41 |
| Molecular Formula: | C18 H18 N2 O3 S |
| Smiles: | COc1ccc(CCN2C(c3ccccc3NC2=S)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.0754 |
| logD: | 3.0721 |
| logSw: | -3.5581 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.557 |
| InChI Key: | AHPDQPJQSCAGGL-UHFFFAOYSA-N |