4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-(3-methylbutyl)benzamide
Chemical Structure Depiction of
4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-(3-methylbutyl)benzamide
4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-(3-methylbutyl)benzamide
Compound characteristics
Compound ID: | K284-7373 |
Compound Name: | 4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-(3-methylbutyl)benzamide |
Molecular Weight: | 469.6 |
Molecular Formula: | C25 H31 N3 O4 S |
Smiles: | CCOc1cc2C(N(Cc3ccc(cc3)C(NCCC(C)C)=O)C(Nc2cc1OCC)=S)=O |
Stereo: | ACHIRAL |
logP: | 3.8542 |
logD: | 3.8471 |
logSw: | -3.9979 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 66.265 |
InChI Key: | RHONUEUMLWNYPH-UHFFFAOYSA-N |