[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Formula:C19H23N2O5F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate is a drug-like molecule.

MolName	[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate
MolecularFormula	C19H23N2O5F3S
Smiles	O=C(COC(/C=C/c(cc1)ccc1S(N1CCCCCC1)(=O)=O)=O)NCC(F)(F)F
InChI	InChI=1S/C19H23F3N2O5S/c20-19(21,22)14-23-17(25)13-29-18(26)10-7-15-5-8-16(9-6-15)30(27,28)24-11-3-1-2-4-12-24/h5-10H,1-4,11-14H2,(H,23,25)
InChIK	PEOAJFADHUNXPW-UHFFFAOYSA-N
TotalMolweight	448.461
Molweight	448.461
MonoisotopicMass	448.127977
CLogP	2.4249
CLogS	-3.299
H Acceptors	7
H Donors	1
TotalSurfaceArea	321.64
Relative PSA	0.2477
PolarSurfaceArea	101.16
Druglikeness	-8.5903
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	11
Symmetricatoms	8
Amides	2
StereoCon

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1 - [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate | 2 - [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

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