3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0930 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 530.6 |
| Molecular Formula: | C28 H26 N4 O5 S |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0174 |
| logD: | 4.0172 |
| logSw: | -4.2173 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.886 |
| InChI Key: | RJQAGZYSPHWNTG-UHFFFAOYSA-N |