4,4,4-trifluoro-1-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(trifluoromethyl)butan-1-one

Formula:C20H22N2O2F6S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4,4,4-trifluoro-1-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(trifluoromethyl)butan-1-one is a drug-like molecule.

MolName	4,4,4-trifluoro-1-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(trifluoromethyl)butan-1-one
MolecularFormula	C20H22N2O2F6S
Smiles	O=C(CC(C(F)(F)F)C(F)(F)F)N(CC1)CC1(CC1)CCN1C(/C=C/c1cscc1)=O
InChI	InChI=1S/C20H22F6N2O2S/c21-19(22,23)15(20(24,25)26)11-17(30)28-9-6-18(13-28)4-7-27(8-5-18)16(29)2-1-14-3-10-31-12-14/h1-3,10,12,15H,4-9,11,13H2
InChIK	GCJUGUVXUBJLOC-UHFFFAOYSA-N
TotalMolweight	468.461
Molweight	468.461
MonoisotopicMass	468.130616
CLogP	4.7009
CLogS	-4.523
H Acceptors	4
TotalSurfaceArea	316.71
Relative PSA	0.16905
PolarSurfaceArea	68.86
Druglikeness	-4.7335
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	12
Symmetricatoms	8
Amides	2
StereoCon

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1 - 4,4,4-trifluoro-1-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(trifluoromethyl)butan-1-one | 2 - 4,4,4-trifluoro-1-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(trifluoromethyl)butan-1-one

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