[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Formula:C22H26N2O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate is a drug-like molecule.

MolName	[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate
MolecularFormula	C22H26N2O6S
Smiles	O=C(COC(/C=C/c(cc1)ccc1S(N1CCCCCC1)(=O)=O)=O)NCc1ccco1
InChI	InChI=1S/C22H26N2O6S/c25-21(23-16-19-6-5-15-29-19)17-30-22(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	UQIMSHIYXKZDED-UHFFFAOYSA-N
TotalMolweight	446.522
Molweight	446.522
MonoisotopicMass	446.151158
CLogP	2.1411
CLogS	-3.264
H Acceptors	8
H Donors	1
TotalSurfaceArea	341.63
Relative PSA	0.27451
PolarSurfaceArea	114.3
Druglikeness	-1.2874
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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1 - [2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate | 2 - [2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

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