(4Z)-4-[(4-bromothiophen-2-yl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one

Formula:C14H7N2O4BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-4-[(4-bromothiophen-2-yl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4Z)-4-[(4-bromothiophen-2-yl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one
MolecularFormula	C14H7N2O4BrS
Smiles	[O-][N+](c1cccc(C(OC2=O)=N/C2=C\c2cc(Br)cs2)c1)=O
InChI	InChI=1S/C14H7BrN2O4S/c15-9-5-11(22-7-9)6-12-14(18)21-13(16-12)8-2-1-3-10(4-8)17(19)20/h1-7H
InChIK	TVLDIMSXLMDIPH-UHFFFAOYSA-N
TotalMolweight	379.19
Molweight	379.19
MonoisotopicMass	377.930989
CLogP	2.262
CLogS	-5.223
H Acceptors	6
TotalSurfaceArea	233.19
Relative PSA	0.36592
PolarSurfaceArea	112.72
Druglikeness	-8.3488
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (4Z)-4-[(4-bromothiophen-2-yl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one | 2 - (4Z)-4-[(4-bromothiophen-2-yl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one

Request More Details | (4Z)-4-[(4-bromothiophen-2-yl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments