N-(2-chloro-5-nitrophenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide

Formula:C21H23N4O5ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(2-chloro-5-nitrophenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide is a drug-like molecule.

MolName	N-(2-chloro-5-nitrophenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide
MolecularFormula	C21H23N4O5ClS
Smiles	CC(C(Nc(cc(cc1)[N+]([O-])=O)c1Cl)=O)N(CC1)CCN1S(/C=C/c1ccccc1)(=O)=O
InChI	InChI=1S/C21H23ClN4O5S/c1-16(21(27)23-20-15-18(26(28)29)7-8-19(20)22)24-10-12-25(13-11-24)32(30,31)14-9-17-5-3-2-4-6-17/h2-9,14-16H,10-13H2,1H3,(H,23,27)/t16-/m0/s1
InChIK	FSJMAISRCPOTTG-INIZCTEOSA-N
TotalMolweight	478.956
Molweight	478.956
MonoisotopicMass	478.107768
CLogP	1.2473
CLogS	-4.602
H Acceptors	9
H Donors	1
TotalSurfaceArea	343.3
Relative PSA	0.26391
PolarSurfaceArea	123.92
Druglikeness	-0.16478
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	1
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	5
Amides	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon	racemate

Click to Load Molecule:

1 - N-(2-chloro-5-nitrophenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide | 2 - N-(2-chloro-5-nitrophenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide

Request More Details | N-(2-chloro-5-nitrophenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments