N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide

Formula:C18H17N5O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide is a drug-like molecule.

MolName	N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
MolecularFormula	C18H17N5O3
Smiles	[O-][N+](c1ccc(/C=N\NC(c(cccc2)c2C2=NCCCN2)=O)cc1)=O
InChI	InChI=1S/C18H17N5O3/c24-18(22-21-12-13-6-8-14(9-7-13)23(25)26)16-5-2-1-4-15(16)17-19-10-3-11-20-17/h1-2,4-9,12H,3,10-11H2,(H,19,20)(H,22,24)
InChIK	RAUHRBHRYKKFBX-UHFFFAOYSA-N
TotalMolweight	351.365
Molweight	351.365
MonoisotopicMass	351.13314
CLogP	1.9339
CLogS	-4.658
H Acceptors	8
H Donors	2
TotalSurfaceArea	272.87
Relative PSA	0.32763
PolarSurfaceArea	111.67
Druglikeness	0.52247
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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