1-[(Z)-[1-[(2,4-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione

Formula:C20H15N5O2Cl2 Mutagenic:none Tumorigenic:high Reproductive Effective:none 1-[(Z)-[1-[(2,4-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione is a drug-like molecule.

MolName1-[(Z)-[1-[(2,4-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione
MolecularFormulaC20H15N5O2Cl2
SmilesO=C(CN1/N=C\c2cn(Cc(ccc(Cl)c3)c3Cl)nc2-c2ccccc2)NC1=O
InChIInChI=1S/C20H15Cl2N5O2/c21-16-7-6-14(17(22)8-16)10-26-11-15(9-23-27-12-18(28)24-20(27)29)19(25-26)13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,24,28,29)
InChIKPIMAFRQEIRPDAU-UHFFFAOYSA-N
TotalMolweight428.278
Molweight428.278
MonoisotopicMass427.060279
CLogP3.1773
CLogS-5.16
H Acceptors7
H Donors1
TotalSurfaceArea307.62
Relative PSA0.22898
PolarSurfaceArea79.59
Druglikeness6.291
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.51724
Fragments1
Non HAtoms29
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms2
Symmetricatoms2
Amides1
Aromatic Nitrogens2
StereoCon

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