4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-pentylbenzamide
Chemical Structure Depiction of
4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-pentylbenzamide
4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-pentylbenzamide
Compound characteristics
Compound ID: | K284-7360 |
Compound Name: | 4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-pentylbenzamide |
Molecular Weight: | 469.6 |
Molecular Formula: | C25 H31 N3 O4 S |
Smiles: | CCCCCNC(c1ccc(CN2C(c3cc(c(cc3NC2=S)OCC)OCC)=O)cc1)=O |
Stereo: | ACHIRAL |
logP: | 4.0693 |
logD: | 4.0622 |
logSw: | -4.0785 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 66.265 |
InChI Key: | SUUNPHWAZSJNIB-UHFFFAOYSA-N |