N-[(2-chlorophenyl)methyl]-3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(2-chlorophenyl)methyl]-3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
Compound ID: | K288-0674 |
Compound Name: | N-[(2-chlorophenyl)methyl]-3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
Molecular Weight: | 453.99 |
Molecular Formula: | C24 H24 Cl N3 O2 S |
Smiles: | C1CCC(CCN2C(c3ccc(cc3NC2=S)C(NCc2ccccc2[Cl])=O)=O)=CC1 |
Stereo: | ACHIRAL |
logP: | 5.2131 |
logD: | 5.2098 |
logSw: | -5.5735 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 51.902 |
InChI Key: | LQINNKKGQLEJIJ-UHFFFAOYSA-N |