N-[(E)-1,3-benzodioxol-4-ylmethylideneamino]-4-nitro-2-piperidin-1-ylsulfonylaniline

Formula:C19H20N4O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-1,3-benzodioxol-4-ylmethylideneamino]-4-nitro-2-piperidin-1-ylsulfonylaniline is a drug-like molecule.

MolName	N-[(E)-1,3-benzodioxol-4-ylmethylideneamino]-4-nitro-2-piperidin-1-ylsulfonylaniline
MolecularFormula	C19H20N4O6S
Smiles	[O-][N+](c(cc1)cc(S(N2CCCCC2)(=O)=O)c1N/N=C/c1c2OCOc2ccc1)=O
InChI	InChI=1S/C19H20N4O6S/c24-23(25)15-7-8-16(18(11-15)30(26,27)22-9-2-1-3-10-22)21-20-12-14-5-4-6-17-19(14)29-13-28-17/h4-8,11-12,21H,1-3,9-10,13H2
InChIK	SYADSWRTPKTVTG-UHFFFAOYSA-N
TotalMolweight	432.456
Molweight	432.456
MonoisotopicMass	432.110356
CLogP	4.2375
CLogS	-4.415
H Acceptors	10
H Donors	1
TotalSurfaceArea	307.35
Relative PSA	0.34332
PolarSurfaceArea	134.43
Druglikeness	-4.2415
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	3
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - N-[(E)-1,3-benzodioxol-4-ylmethylideneamino]-4-nitro-2-piperidin-1-ylsulfonylaniline | 2 - N-[(E)-1,3-benzodioxol-4-ylmethylideneamino]-4-nitro-2-piperidin-1-ylsulfonylaniline

Request More Details | N-[(E)-1,3-benzodioxol-4-ylmethylideneamino]-4-nitro-2-piperidin-1-ylsulfonylaniline

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments