(E)-N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-(4-chloro-3-nitrophenyl)prop-2-enamide

Formula:C23H16N3O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-(4-chloro-3-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-(4-chloro-3-nitrophenyl)prop-2-enamide
MolecularFormula	C23H16N3O4Cl
Smiles	[O-][N+](c(cc(/C=C/C(NCc(cc1)ccc1-c1nc(cccc2)c2o1)=O)cc1)c1Cl)=O
InChI	InChI=1S/C23H16ClN3O4/c24-18-11-7-15(13-20(18)27(29)30)8-12-22(28)25-14-16-5-9-17(10-6-16)23-26-19-3-1-2-4-21(19)31-23/h1-13H,14H2,(H,25,28)
InChIK	NUYKKRCSNUCUJV-UHFFFAOYSA-N
TotalMolweight	433.85
Molweight	433.85
MonoisotopicMass	433.082934
CLogP	4.1849
CLogS	-7.5
H Acceptors	7
H Donors	1
TotalSurfaceArea	324.39
Relative PSA	0.24662
PolarSurfaceArea	100.95
Druglikeness	-4.563
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (E)-N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-(4-chloro-3-nitrophenyl)prop-2-enamide | 2 - (E)-N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-(4-chloro-3-nitrophenyl)prop-2-enamide

Request More Details | (E)-N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-(4-chloro-3-nitrophenyl)prop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments