N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-5-bromo-2-methoxy-3-methylbenzamide

Formula:C23H19N2O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-5-bromo-2-methoxy-3-methylbenzamide is not a drug-like molecule.

MolName	N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-5-bromo-2-methoxy-3-methylbenzamide
MolecularFormula	C23H19N2O3Br
Smiles	Cc1cc(Br)cc(C(NCc(cc2)ccc2-c2nc(cccc3)c3o2)=O)c1OC
InChI	InChI=1S/C23H19BrN2O3/c1-14-11-17(24)12-18(21(14)28-2)22(27)25-13-15-7-9-16(10-8-15)23-26-19-5-3-4-6-20(19)29-23/h3-12H,13H2,1-2H3,(H,25,27)
InChIK	ROYLIZNHWNZCDD-UHFFFAOYSA-N
TotalMolweight	451.319
Molweight	451.319
MonoisotopicMass	450.057904
CLogP	5.1704
CLogS	-7.13
H Acceptors	5
H Donors	1
TotalSurfaceArea	311.95
Relative PSA	0.19099
PolarSurfaceArea	64.36
Druglikeness	-0.2295
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	4
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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