N-{3-[benzyl(methyl)amino]propyl}-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide
Chemical Structure Depiction of
N-{3-[benzyl(methyl)amino]propyl}-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide
N-{3-[benzyl(methyl)amino]propyl}-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide
Compound characteristics
Compound ID: | K284-5392 |
Compound Name: | N-{3-[benzyl(methyl)amino]propyl}-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide |
Molecular Weight: | 516.62 |
Molecular Formula: | C28 H28 N4 O4 S |
Smiles: | CN(CCCNC(c1ccc(CN2C(c3cc4c(cc3NC2=S)OCO4)=O)cc1)=O)Cc1ccccc1 |
Stereo: | ACHIRAL |
logP: | 3.7401 |
logD: | 2.299 |
logSw: | -3.9537 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 72.782 |
InChI Key: | LKPQQFJXFRDOQK-UHFFFAOYSA-N |