(2E)-2-[(2-bromophenyl)methylidene]-4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one

Formula:C27H23N3O3BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-2-[(2-bromophenyl)methylidene]-4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one is not a drug-like molecule.

MolName	(2E)-2-[(2-bromophenyl)methylidene]-4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
MolecularFormula	C27H23N3O3BrCl
Smiles	O=C(CN(c(cccc1)c1O/C1=C/c(cccc2)c2Br)C1=O)N(CC1)CCN1c1cc(Cl)ccc1
InChI	InChI=1S/C27H23BrClN3O3/c28-22-9-2-1-6-19(22)16-25-27(34)32(23-10-3-4-11-24(23)35-25)18-26(33)31-14-12-30(13-15-31)21-8-5-7-20(29)17-21/h1-11,16-17H,12-15,18H2
InChIK	GQLHDYBXJOEAQC-UHFFFAOYSA-N
TotalMolweight	552.855
Molweight	552.855
MonoisotopicMass	551.06113
CLogP	5.1192
CLogS	-6.165
H Acceptors	6
TotalSurfaceArea	369.74
Relative PSA	0.12639
PolarSurfaceArea	53.09
Druglikeness	5.3019
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51429
Fragments	1
Non HAtoms	35
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
Amines	1
Aromatic Amines	1
StereoCon

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1 - (2E)-2-[(2-bromophenyl)methylidene]-4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one | 2 - (2E)-2-[(2-bromophenyl)methylidene]-4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one

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