benzyl 2-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]acetate

Formula:C25H21N3O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none benzyl 2-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]acetate is a drug-like molecule.

MolName	benzyl 2-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]acetate
MolecularFormula	C25H21N3O6
Smiles	[O-][N+](c1cc(/C=C(\C(NCC(OCc2ccccc2)=O)=O)/NC(c2ccccc2)=O)ccc1)=O
InChI	InChI=1S/C25H21N3O6/c29-23(34-17-18-8-3-1-4-9-18)16-26-25(31)22(27-24(30)20-11-5-2-6-12-20)15-19-10-7-13-21(14-19)28(32)33/h1-15H,16-17H2,(H,26,31)(H,27,30)
InChIK	DIZIAKIAFLKRJQ-UHFFFAOYSA-N
TotalMolweight	459.457
Molweight	459.457
MonoisotopicMass	459.143037
CLogP	2.7695
CLogS	-5.052
H Acceptors	9
H Donors	2
TotalSurfaceArea	354.85
Relative PSA	0.28874
PolarSurfaceArea	130.32
Druglikeness	-3.0164
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	10
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - benzyl 2-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]acetate | 2 - benzyl 2-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]acetate

Request More Details | benzyl 2-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]acetate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments