7-(azepane-1-carbonyl)-3-[(furan-2-yl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
7-(azepane-1-carbonyl)-3-[(furan-2-yl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
7-(azepane-1-carbonyl)-3-[(furan-2-yl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
Compound ID: | K284-1840 |
Compound Name: | 7-(azepane-1-carbonyl)-3-[(furan-2-yl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
Molecular Weight: | 383.47 |
Molecular Formula: | C20 H21 N3 O3 S |
Smiles: | C1CCCN(CC1)C(c1ccc2C(N(Cc3ccco3)C(Nc2c1)=S)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.1563 |
logD: | 3.1561 |
logSw: | -3.4349 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 52.046 |
InChI Key: | FNENRLKBUIKDFN-UHFFFAOYSA-N |