3-(2-chloro-6-fluorophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-(2-chloro-6-fluorophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
3-(2-chloro-6-fluorophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Compound characteristics
Compound ID: | 3643-1605 |
Compound Name: | 3-(2-chloro-6-fluorophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile |
Molecular Weight: | 325.73 |
Molecular Formula: | C17 H9 Cl F N3 O |
Smiles: | C(=C(C#N)/C1NC(c2ccccc2N=1)=O)\c1c(cccc1[Cl])F |
Stereo: | ACHIRAL |
logP: | 2.781 |
logD: | -0.4241 |
logSw: | -3.9545 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.947 |
InChI Key: | IFZWZSKDPNFQBV-UHFFFAOYSA-N |