2-({3-[2-(4-chlorophenyl)ethyl]-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}methyl)benzonitrile
Chemical Structure Depiction of
2-({3-[2-(4-chlorophenyl)ethyl]-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}methyl)benzonitrile
2-({3-[2-(4-chlorophenyl)ethyl]-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}methyl)benzonitrile
Compound characteristics
Compound ID: | C200-0716 |
Compound Name: | 2-({3-[2-(4-chlorophenyl)ethyl]-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}methyl)benzonitrile |
Molecular Weight: | 415.88 |
Molecular Formula: | C24 H18 Cl N3 O2 |
Smiles: | C(CN1C(c2ccccc2N(Cc2ccccc2C#N)C1=O)=O)c1ccc(cc1)[Cl] |
Stereo: | ACHIRAL |
logP: | 4.7282 |
logD: | 4.7282 |
logSw: | -4.9883 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 48.301 |
InChI Key: | LNXITRAGGZTPDW-UHFFFAOYSA-N |