3-[2-(diethylamino)ethyl]-7-(4-ethylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[2-(diethylamino)ethyl]-7-(4-ethylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[2-(diethylamino)ethyl]-7-(4-ethylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
Compound ID: | K288-0441 |
Compound Name: | 3-[2-(diethylamino)ethyl]-7-(4-ethylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
Molecular Weight: | 417.57 |
Molecular Formula: | C21 H31 N5 O2 S |
Smiles: | CCN(CC)CCN1C(c2ccc(cc2NC1=S)C(N1CCN(CC)CC1)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.6834 |
logD: | 0.2359 |
logSw: | -2.6971 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.164 |
InChI Key: | OEWLPWKGIXEBBL-UHFFFAOYSA-N |