(E)-N-(furan-2-ylmethyl)-3-[2-(3-nitrophenyl)pyrimidin-5-yl]prop-2-enamide

Formula:C18H14N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-(furan-2-ylmethyl)-3-[2-(3-nitrophenyl)pyrimidin-5-yl]prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(furan-2-ylmethyl)-3-[2-(3-nitrophenyl)pyrimidin-5-yl]prop-2-enamide
MolecularFormula	C18H14N4O4
Smiles	[O-][N+](c1cc(-c2ncc(/C=C/C(NCc3ccco3)=O)cn2)ccc1)=O
InChI	InChI=1S/C18H14N4O4/c23-17(19-12-16-5-2-8-26-16)7-6-13-10-20-18(21-11-13)14-3-1-4-15(9-14)22(24)25/h1-11H,12H2,(H,19,23)
InChIK	DFAMYWXBTLYPJI-UHFFFAOYSA-N
TotalMolweight	350.333
Molweight	350.333
MonoisotopicMass	350.101506
CLogP	1.1926
CLogS	-4.597
H Acceptors	8
H Donors	1
TotalSurfaceArea	273.13
Relative PSA	0.33306
PolarSurfaceArea	113.84
Druglikeness	-4.7392
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (E)-N-(furan-2-ylmethyl)-3-[2-(3-nitrophenyl)pyrimidin-5-yl]prop-2-enamide | 2 - (E)-N-(furan-2-ylmethyl)-3-[2-(3-nitrophenyl)pyrimidin-5-yl]prop-2-enamide

Request More Details | (E)-N-(furan-2-ylmethyl)-3-[2-(3-nitrophenyl)pyrimidin-5-yl]prop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments