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

Formula:C21H23N3O6S Mutagenic:high Tumorigenic:none Reproductive Effective:none [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] (E)-3-(furan-2-yl)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-(furan-2-yl)prop-2-enoate
MolecularFormula	C21H23N3O6S
Smiles	O=C(COC(/C=C/c1ccco1)=O)Nc1cccc(S(NC2=NCCCCC2)(=O)=O)c1
InChI	InChI=1S/C21H23N3O6S/c25-20(15-30-21(26)11-10-17-7-5-13-29-17)23-16-6-4-8-18(14-16)31(27,28)24-19-9-2-1-3-12-22-19/h4-8,10-11,13-14H,1-3,9,12,15H2,(H,22,24)(H,23,25)
InChIK	QKYUPDFSLFSDIX-UHFFFAOYSA-N
TotalMolweight	445.495
Molweight	445.495
MonoisotopicMass	445.130757
CLogP	1.7908
CLogS	-3.9
H Acceptors	9
H Donors	2
TotalSurfaceArea	338.24
Relative PSA	0.33467
PolarSurfaceArea	135.45
Druglikeness	-7.0934
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
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-(furan-2-yl)prop-2-enoate | 2 - [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] (E)-3-(furan-2-yl)prop-2-enoate

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