[2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate

Formula:C23H24N3O5FS Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate is a drug-like molecule.

MolName	[2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
MolecularFormula	C23H24N3O5FS
Smiles	O=C(COC(/C=C/c1cc(F)ccc1)=O)Nc1cccc(S(NC2=NCCCCC2)(=O)=O)c1
InChI	InChI=1S/C23H24FN3O5S/c24-18-7-4-6-17(14-18)11-12-23(29)32-16-22(28)26-19-8-5-9-20(15-19)33(30,31)27-21-10-2-1-3-13-25-21/h4-9,11-12,14-15H,1-3,10,13,16H2,(H,25,27)(H,26,28)
InChIK	XBWTVINBHOOBHC-UHFFFAOYSA-N
TotalMolweight	473.524
Molweight	473.524
MonoisotopicMass	473.14207
CLogP	2.7029
CLogS	-4.532
H Acceptors	8
H Donors	2
TotalSurfaceArea	354.9
Relative PSA	0.27921
PolarSurfaceArea	122.31
Druglikeness	-9.7753
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	1
Amides	2
BasicNitrogens	1
StereoCon

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1 - [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate | 2 - [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate

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