N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide

Formula:C19H16N3O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide is a drug-like molecule.

MolName	N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
MolecularFormula	C19H16N3O4Br
Smiles	O=C(C(C(CN1)c2ccccc2)C1=O)N/N=C/c(cc1OCOc1c1)c1Br
InChI	InChI=1S/C19H16BrN3O4/c20-14-7-16-15(26-10-27-16)6-12(14)8-22-23-19(25)17-13(9-21-18(17)24)11-4-2-1-3-5-11/h1-8,13,17H,9-10H2,(H,21,24)(H,23,25)
InChIK	PTJPWELXLPMEHL-UHFFFAOYSA-N
TotalMolweight	430.257
Molweight	430.257
MonoisotopicMass	429.032418
CLogP	3.4672
CLogS	-5.342
H Acceptors	7
H Donors	2
TotalSurfaceArea	280.35
Relative PSA	0.28718
PolarSurfaceArea	89.02
Druglikeness	4.9908
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	2
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
Amides	1
StereoCon	unknown chirality

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