[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate

Formula:C16H16NO5F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate is a drug-like molecule.

MolName	[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
MolecularFormula	C16H16NO5F3S
Smiles	O=C(COC(/C=C/c1cc(C(F)(F)F)ccc1)=O)NC(CC1)CS1(=O)=O
InChI	InChI=1S/C16H16F3NO5S/c17-16(18,19)12-3-1-2-11(8-12)4-5-15(22)25-9-14(21)20-13-6-7-26(23,24)10-13/h1-5,8,13H,6-7,9-10H2,(H,20,21)/t13-/m1/s1
InChIK	OMPSPAULOHVAPJ-CYBMUJFWSA-N
TotalMolweight	391.365
Molweight	391.365
MonoisotopicMass	391.070128
CLogP	1.1975
CLogS	-3.216
H Acceptors	6
H Donors	1
TotalSurfaceArea	268.8
Relative PSA	0.28318
PolarSurfaceArea	97.92
Druglikeness	-8.4325
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Symmetricatoms	3
Amides	1
StereoCon	racemate

Click to Load Molecule:

1 - [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate | 2 - [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate

Request More Details | [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments