(2E)-2-[(2-bromophenyl)methylidene]-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one

Formula:C26H23N4O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-2-[(2-bromophenyl)methylidene]-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one is not a drug-like molecule.

MolName	(2E)-2-[(2-bromophenyl)methylidene]-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one
MolecularFormula	C26H23N4O3Br
Smiles	O=C(CN(c(cccc1)c1O/C1=C/c(cccc2)c2Br)C1=O)N(CC1)CCN1c1ncccc1
InChI	InChI=1S/C26H23BrN4O3/c27-20-8-2-1-7-19(20)17-23-26(33)31(21-9-3-4-10-22(21)34-23)18-25(32)30-15-13-29(14-16-30)24-11-5-6-12-28-24/h1-12,17H,13-16,18H2
InChIK	NHLKSCGDRZDDRC-UHFFFAOYSA-N
TotalMolweight	519.398
Molweight	519.398
MonoisotopicMass	518.095352
CLogP	3.8637
CLogS	-5.159
H Acceptors	7
TotalSurfaceArea	353.08
Relative PSA	0.16342
PolarSurfaceArea	65.98
Druglikeness	5.2745
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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1 - (2E)-2-[(2-bromophenyl)methylidene]-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one | 2 - (2E)-2-[(2-bromophenyl)methylidene]-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one

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