3-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-2410 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 530.65 |
| Molecular Formula: | C29 H30 N4 O4 S |
| Smiles: | COc1ccc(CCN2C(c3ccc(cc3NC2=S)C(N2CCN(CC2)c2ccccc2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.6584 |
| logD: | 3.657 |
| logSw: | -3.9877 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.466 |
| InChI Key: | LQEBURAKQFOYJJ-UHFFFAOYSA-N |