5-[(3,5-dimethoxyphenyl)methyliminomethyl]-1-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione

Formula:C22H23N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[(3,5-dimethoxyphenyl)methyliminomethyl]-1-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione is a drug-like molecule.

MolName	5-[(3,5-dimethoxyphenyl)methyliminomethyl]-1-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione
MolecularFormula	C22H23N3O5
Smiles	Cc1cc(N(C(O)=C(/C=N/Cc2cc(OC)cc(OC)c2)C(N2)=O)C2=O)cc(C)c1
InChI	InChI=1S/C22H23N3O5/c1-13-5-14(2)7-16(6-13)25-21(27)19(20(26)24-22(25)28)12-23-11-15-8-17(29-3)10-18(9-15)30-4/h5-10,12,27H,11H2,1-4H3,(H,24,26,28)
InChIK	GFNKBCDXAYGNMF-UHFFFAOYSA-N
TotalMolweight	409.441
Molweight	409.441
MonoisotopicMass	409.163772
CLogP	2.2905
CLogS	-5.661
H Acceptors	8
H Donors	2
TotalSurfaceArea	313.61
Relative PSA	0.27327
PolarSurfaceArea	100.46
Druglikeness	5.499
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB; twice activated DB; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	7
Amides	2
BasicNitrogens	1
StereoCon

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1 - 5-[(3,5-dimethoxyphenyl)methyliminomethyl]-1-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione | 2 - 5-[(3,5-dimethoxyphenyl)methyliminomethyl]-1-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione

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