N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanamide
Compound characteristics
Compound ID: | K284-4086 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanamide |
Molecular Weight: | 476.35 |
Molecular Formula: | C20 H18 Br N3 O4 S |
Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)CN1C(c2cc(ccc2NC1=S)[Br])=O |
Stereo: | ACHIRAL |
logP: | 3.1015 |
logD: | 3.0366 |
logSw: | -3.4549 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 68.883 |
InChI Key: | VRSOVINVVCTIHV-UHFFFAOYSA-N |