[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate

Formula:C22H22N3O7ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate is not a drug-like molecule.

MolName	[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate
MolecularFormula	C22H22N3O7ClS
Smiles	[O-][N+](c1c(/C=C/C(OCC(Nc(cc(cc2)S(N3CCCCC3)(=O)=O)c2Cl)=O)=O)cccc1)=O
InChI	InChI=1S/C22H22ClN3O7S/c23-18-10-9-17(34(31,32)25-12-4-1-5-13-25)14-19(18)24-21(27)15-33-22(28)11-8-16-6-2-3-7-20(16)26(29)30/h2-3,6-11,14H,1,4-5,12-13,15H2,(H,24,27)
InChIK	CDOZHRYMUYWCMD-UHFFFAOYSA-N
TotalMolweight	507.95
Molweight	507.95
MonoisotopicMass	507.086699
CLogP	2.5854
CLogS	-4.692
H Acceptors	10
H Donors	1
TotalSurfaceArea	363.51
Relative PSA	0.30285
PolarSurfaceArea	146.98
Druglikeness	-6.1527
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	3
Amides	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate | 2 - [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate

Request More Details | [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments