(5E)-5-[(2-bromophenyl)methylidene]-3-[(E)-(2,4-dioxochromen-3-ylidene)methyl]imidazolidine-2,4-dione

Formula:C20H11N2O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-5-[(2-bromophenyl)methylidene]-3-[(E)-(2,4-dioxochromen-3-ylidene)methyl]imidazolidine-2,4-dione is a drug-like molecule.

MolName(5E)-5-[(2-bromophenyl)methylidene]-3-[(E)-(2,4-dioxochromen-3-ylidene)methyl]imidazolidine-2,4-dione
MolecularFormulaC20H11N2O5Br
SmilesO=C(/C(/N1)=C\c(cccc2)c2Br)N(/C=C(\C(c(cccc2)c2O2)=O)/C2=O)C1=O
InChIInChI=1S/C20H11BrN2O5/c21-14-7-3-1-5-11(14)9-15-18(25)23(20(27)22-15)10-13-17(24)12-6-2-4-8-16(12)28-19(13)26/h1-10H,(H,22,27)
InChIKUPQQYXPYUSIKAW-UHFFFAOYSA-N
TotalMolweight439.22
Molweight439.22
MonoisotopicMass437.985134
CLogP2.5681
CLogS-5.288
H Acceptors7
H Donors1
TotalSurfaceArea276.83
Relative PSA0.27876
PolarSurfaceArea92.78
Druglikeness0.12873
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionstwice activated DB; limit! 5-methylene-imidazolidine-2,4-dione
Shape Index0.53571
Fragments1
Non HAtoms28
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond2
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms1
Amides2
StereoCon

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