3-[(oxolan-2-yl)methyl]-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[(oxolan-2-yl)methyl]-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[(oxolan-2-yl)methyl]-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | A0061041 |
| Compound Name: | 3-[(oxolan-2-yl)methyl]-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C24 H26 N4 O3 S |
| Smiles: | C1CC(CN2C(c3ccc(cc3NC2=S)C(N2CCN(CC2)c2ccccc2)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.485 |
| logD: | 2.4845 |
| logSw: | -3.3003 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.881 |
| InChI Key: | OEODTIOFPCSLIN-LJQANCHMSA-N |