3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(4-cyclohexylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(4-cyclohexylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(4-cyclohexylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0888 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(4-cyclohexylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 506.62 |
| Molecular Formula: | C27 H30 N4 O4 S |
| Smiles: | C1CCC(CC1)N1CCN(CC1)C(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9353 |
| logD: | 3.7728 |
| logSw: | -3.9987 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.175 |
| InChI Key: | YIURDOMDEALQGB-UHFFFAOYSA-N |