N-[(E)-3-(azepan-1-yl)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-3-bromobenzamide

Formula:C20H21N2O2BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-(azepan-1-yl)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-3-bromobenzamide is not a drug-like molecule.

MolName	N-[(E)-3-(azepan-1-yl)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-3-bromobenzamide
MolecularFormula	C20H21N2O2BrS
Smiles	O=C(/C(/NC(c1cccc(Br)c1)=O)=C\c1cccs1)N1CCCCCC1
InChI	InChI=1S/C20H21BrN2O2S/c21-16-8-5-7-15(13-16)19(24)22-18(14-17-9-6-12-26-17)20(25)23-10-3-1-2-4-11-23/h5-9,12-14H,1-4,10-11H2,(H,22,24)
InChIK	ZQOLDRKIEMVHIS-UHFFFAOYSA-N
TotalMolweight	433.369
Molweight	433.369
MonoisotopicMass	432.050709
CLogP	5.0484
CLogS	-5.074
H Acceptors	4
H Donors	1
TotalSurfaceArea	298.62
Relative PSA	0.20578
PolarSurfaceArea	77.65
Druglikeness	0.57767
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46154
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Symmetricatoms	3
Amides	2
StereoCon

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