(E)-1-[2-(5-bromofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one

Formula:C20H21N2O3BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[2-(5-bromofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[2-(5-bromofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one
MolecularFormula	C20H21N2O3BrS
Smiles	O=C(/C=C/c1cscc1)N1CCC(CC2)(CN2C(c(o2)ccc2Br)=O)CC1
InChI	InChI=1S/C20H21BrN2O3S/c21-17-3-2-16(26-17)19(25)23-11-8-20(14-23)6-9-22(10-7-20)18(24)4-1-15-5-12-27-13-15/h1-5,12-13H,6-11,14H2
InChIK	NOUWIXGSOFHNCF-UHFFFAOYSA-N
TotalMolweight	449.368
Molweight	449.368
MonoisotopicMass	448.045624
CLogP	4.0603
CLogS	-3.792
H Acceptors	5
TotalSurfaceArea	299.61
Relative PSA	0.22579
PolarSurfaceArea	82
Druglikeness	2.7878
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	8
Symmetricatoms	2
Amides	2
StereoCon

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1 - (E)-1-[2-(5-bromofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one | 2 - (E)-1-[2-(5-bromofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one

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