(E)-3-(1,3-benzodioxol-5-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]prop-2-enamide

Formula:C22H23N3O5S Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]prop-2-enamide
MolecularFormula	C22H23N3O5S
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)Nc1cccc(S(NC2=NCCCCC2)(=O)=O)c1
InChI	InChI=1S/C22H23N3O5S/c26-22(11-9-16-8-10-19-20(13-16)30-15-29-19)24-17-5-4-6-18(14-17)31(27,28)25-21-7-2-1-3-12-23-21/h4-6,8-11,13-14H,1-3,7,12,15H2,(H,23,25)(H,24,26)
InChIK	BOXNILMXHBQYLO-UHFFFAOYSA-N
TotalMolweight	441.507
Molweight	441.507
MonoisotopicMass	441.135842
CLogP	3.1556
CLogS	-5.026
H Acceptors	8
H Donors	2
TotalSurfaceArea	327.3
Relative PSA	0.29346
PolarSurfaceArea	114.47
Druglikeness	-7.2319
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	1
Amides	2
BasicNitrogens	1
StereoCon

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1 - (E)-3-(1,3-benzodioxol-5-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]prop-2-enamide | 2 - (E)-3-(1,3-benzodioxol-5-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]prop-2-enamide

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