(E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(1,3-benzodioxol-5-yl)prop-2-enamide

Formula:C22H24N2O5S Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(1,3-benzodioxol-5-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(1,3-benzodioxol-5-yl)prop-2-enamide
MolecularFormula	C22H24N2O5S
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)Nc(cc1)ccc1S(N1CCCCCC1)(=O)=O
InChI	InChI=1S/C22H24N2O5S/c25-22(12-6-17-5-11-20-21(15-17)29-16-28-20)23-18-7-9-19(10-8-18)30(26,27)24-13-3-1-2-4-14-24/h5-12,15H,1-4,13-14,16H2,(H,23,25)
InChIK	LXWRCKWEMDDGHU-UHFFFAOYSA-N
TotalMolweight	428.508
Molweight	428.508
MonoisotopicMass	428.140593
CLogP	3.7965
CLogS	-4.574
H Acceptors	7
H Donors	1
TotalSurfaceArea	316.93
Relative PSA	0.24179
PolarSurfaceArea	93.32
Druglikeness	-0.51875
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	6
Amides	2
StereoCon

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