N-[(4-methoxyphenyl)methyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzamide
N-[(4-methoxyphenyl)methyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzamide
Compound characteristics
Compound ID: | K288-0437 |
Compound Name: | N-[(4-methoxyphenyl)methyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzamide |
Molecular Weight: | 417.49 |
Molecular Formula: | C23 H19 N3 O3 S |
Smiles: | COc1ccc(CNC(c2ccc(cc2)N2C(c3ccccc3NC2=S)=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 3.3473 |
logD: | 3.3415 |
logSw: | -3.8254 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 58.664 |
InChI Key: | CYSBZEMSQUZIQN-UHFFFAOYSA-N |