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

Formula:C22H26N2O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate is a drug-like molecule.

MolName	[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate
MolecularFormula	C22H26N2O5S2
Smiles	O=C(COC(/C=C/c(cc1)ccc1S(N1CCCCCC1)(=O)=O)=O)NCc1cccs1
InChI	InChI=1S/C22H26N2O5S2/c25-21(23-16-19-6-5-15-30-19)17-29-22(26)12-9-18-7-10-20(11-8-18)31(27,28)24-13-3-1-2-4-14-24/h5-12,15H,1-4,13-14,16-17H2,(H,23,25)
InChIK	QUCUGBYNNNHWIV-UHFFFAOYSA-N
TotalMolweight	462.589
Molweight	462.589
MonoisotopicMass	462.128313
CLogP	2.819
CLogS	-3.592
H Acceptors	7
H Donors	1
TotalSurfaceArea	347.88
Relative PSA	0.28754
PolarSurfaceArea	129.4
Druglikeness	-0.0052871
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	10
Symmetricatoms	6
Amides	2
StereoCon

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