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

Formula:C21H23N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-phenyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-phenyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]prop-2-enamide
MolecularFormula	C21H23N3O3S
Smiles	O=C(/C=C/c1ccccc1)Nc1cccc(S(NC2=NCCCCC2)(=O)=O)c1
InChI	InChI=1S/C21H23N3O3S/c25-21(14-13-17-8-3-1-4-9-17)23-18-10-7-11-19(16-18)28(26,27)24-20-12-5-2-6-15-22-20/h1,3-4,7-11,13-14,16H,2,5-6,12,15H2,(H,22,24)(H,23,25)
InChIK	NOXPLEKOKRIZAW-UHFFFAOYSA-N
TotalMolweight	397.498
Molweight	397.498
MonoisotopicMass	397.146012
CLogP	3.0442
CLogS	-4.315
H Acceptors	6
H Donors	2
TotalSurfaceArea	307.04
Relative PSA	0.24769
PolarSurfaceArea	96.01
Druglikeness	-8.7064
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	3
Amides	2
BasicNitrogens	1
StereoCon

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