7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-2798 |
| Compound Name: | 7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 508.6 |
| Molecular Formula: | C26 H28 N4 O5 S |
| Smiles: | C1CC(CN2C(c3ccc(cc3NC2=S)C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0373 |
| logD: | 1.8452 |
| logSw: | -3.0719 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.276 |
| InChI Key: | DJUMOJTZAWMMHC-LJQANCHMSA-N |