(E)-1-[4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-3-phenylprop-2-en-1-one

Formula:C26H26N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-3-phenylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
MolecularFormula	C26H26N4O3
Smiles	[O-][N+](c(ccc(N(CC1)CCN1C(/C=C/c1ccccc1)=O)c1)c1NCc1ccccc1)=O
InChI	InChI=1S/C26H26N4O3/c31-26(14-11-21-7-3-1-4-8-21)29-17-15-28(16-18-29)23-12-13-25(30(32)33)24(19-23)27-20-22-9-5-2-6-10-22/h1-14,19,27H,15-18,20H2
InChIK	FPFPABVBJFJLAB-UHFFFAOYSA-N
TotalMolweight	442.517
Molweight	442.517
MonoisotopicMass	442.200491
CLogP	3.4112
CLogS	-4.886
H Acceptors	7
H Donors	1
TotalSurfaceArea	348.06
Relative PSA	0.17819
PolarSurfaceArea	81.4
Druglikeness	0.53333
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	6
Amides	1
Amines	2
Aromatic Amines	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (E)-1-[4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-3-phenylprop-2-en-1-one | 2 - (E)-1-[4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-3-phenylprop-2-en-1-one

Request More Details | (E)-1-[4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-3-phenylprop-2-en-1-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments