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

Formula:C24H27N2O5ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate is a drug-like molecule.

MolName	[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate
MolecularFormula	C24H27N2O5ClS
Smiles	O=C(COC(/C=C/c(cc1)ccc1S(N1CCCCCC1)(=O)=O)=O)NCc(cc1)ccc1Cl
InChI	InChI=1S/C24H27ClN2O5S/c25-21-10-5-20(6-11-21)17-26-23(28)18-32-24(29)14-9-19-7-12-22(13-8-19)33(30,31)27-15-3-1-2-4-16-27/h5-14H,1-4,15-18H2,(H,26,28)
InChIK	RKCIYFHVUOPESL-UHFFFAOYSA-N
TotalMolweight	491.006
Molweight	491.006
MonoisotopicMass	490.13292
CLogP	3.5584
CLogS	-4.318
H Acceptors	7
H Donors	1
TotalSurfaceArea	367.36
Relative PSA	0.21687
PolarSurfaceArea	101.16
Druglikeness	-0.057599
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	8
Amides	2
StereoCon

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1 - [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate | 2 - [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

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