(5E)-1-(2-phenylethyl)-5-[(1-phenylpyrazol-4-yl)methylidene]-1,3-diazinane-2,4,6-trione

Formula:C22H18N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-(2-phenylethyl)-5-[(1-phenylpyrazol-4-yl)methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-1-(2-phenylethyl)-5-[(1-phenylpyrazol-4-yl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C22H18N4O3
Smiles	O=C(/C(/C(N1CCc2ccccc2)=O)=C\c2cn(-c3ccccc3)nc2)NC1=O
InChI	InChI=1S/C22H18N4O3/c27-20-19(13-17-14-23-26(15-17)18-9-5-2-6-10-18)21(28)25(22(29)24-20)12-11-16-7-3-1-4-8-16/h1-10,13-15H,11-12H2,(H,24,27,29)
InChIK	RZEJSXFIVYVTQD-UHFFFAOYSA-N
TotalMolweight	386.41
Molweight	386.41
MonoisotopicMass	386.137891
CLogP	1.6772
CLogS	-3.212
H Acceptors	7
H Donors	1
TotalSurfaceArea	294.48
Relative PSA	0.2444
PolarSurfaceArea	84.3
Druglikeness	7.9168
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	2
StereoCon

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