N-[(2-chlorophenyl)methyl]-3-[2-(diethylamino)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-3-[2-(diethylamino)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(2-chlorophenyl)methyl]-3-[2-(diethylamino)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
Compound ID: | K288-0622 |
Compound Name: | N-[(2-chlorophenyl)methyl]-3-[2-(diethylamino)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
Molecular Weight: | 444.98 |
Molecular Formula: | C22 H25 Cl N4 O2 S |
Smiles: | CCN(CC)CCN1C(c2ccc(cc2NC1=S)C(NCc1ccccc1[Cl])=O)=O |
Stereo: | ACHIRAL |
logP: | 3.9715 |
logD: | 2.524 |
logSw: | -4.3182 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 55.392 |
InChI Key: | OYNQGRYPQGPUPZ-UHFFFAOYSA-N |