(E)-N-(3-bromophenyl)-2-cyano-3-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]prop-2-enamide

Formula:C23H22N3O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-(3-bromophenyl)-2-cyano-3-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(3-bromophenyl)-2-cyano-3-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]prop-2-enamide
MolecularFormula	C23H22N3O4Br
Smiles	N#C/C(/C(Nc1cccc(Br)c1)=O)=C\c(cc1)ccc1OCC(NCC1OCCC1)=O
InChI	InChI=1S/C23H22BrN3O4/c24-18-3-1-4-19(12-18)27-23(29)17(13-25)11-16-6-8-20(9-7-16)31-15-22(28)26-14-21-5-2-10-30-21/h1,3-4,6-9,11-12,21H,2,5,10,14-15H2,(H,26,28)(H,27,29)/t21-/m1/s1
InChIK	HCTNLLYHAAXXMG-OAQYLSRUSA-N
TotalMolweight	484.349
Molweight	484.349
MonoisotopicMass	483.079368
CLogP	3.027
CLogS	-5.074
H Acceptors	7
H Donors	2
TotalSurfaceArea	344.29
Relative PSA	0.2398
PolarSurfaceArea	100.45
Druglikeness	-4.1858
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	2
Amides	2
StereoCon	racemate

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1 - (E)-N-(3-bromophenyl)-2-cyano-3-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]prop-2-enamide | 2 - (E)-N-(3-bromophenyl)-2-cyano-3-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]prop-2-enamide

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