(2Z)-3-[2-amino-N-[(2,4-dichlorophenyl)methyl]anilino]-2-(thiophen-2-ylmethylidene)but-3-enenitrile

Formula:C22H17N3Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:low (2Z)-3-[2-amino-N-[(2,4-dichlorophenyl)methyl]anilino]-2-(thiophen-2-ylmethylidene)but-3-enenitrile is not a drug-like molecule.

MolName	(2Z)-3-[2-amino-N-[(2,4-dichlorophenyl)methyl]anilino]-2-(thiophen-2-ylmethylidene)but-3-enenitrile
MolecularFormula	C22H17N3Cl2S
Smiles	C=C(/C(/C#N)=C/c1cccs1)N(Cc(ccc(Cl)c1)c1Cl)c(cccc1)c1N
InChI	InChI=1S/C22H17Cl2N3S/c1-15(17(13-25)11-19-5-4-10-28-19)27(22-7-3-2-6-21(22)26)14-16-8-9-18(23)12-20(16)24/h2-12H,1,14,26H2
InChIK	RSSYXBKDUFFRCP-UHFFFAOYSA-N
TotalMolweight	426.37
Molweight	426.37
MonoisotopicMass	425.052021
CLogP	6.4356
CLogS	-7.292
H Acceptors	3
H Donors	1
TotalSurfaceArea	321.31
Relative PSA	0.16414
PolarSurfaceArea	81.29
Druglikeness	-3.0883
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Amines	1
Aromatic Amines	1
StereoCon

Click to Load Molecule:

1 - (2Z)-3-[2-amino-N-[(2,4-dichlorophenyl)methyl]anilino]-2-(thiophen-2-ylmethylidene)but-3-enenitrile | 2 - (2Z)-3-[2-amino-N-[(2,4-dichlorophenyl)methyl]anilino]-2-(thiophen-2-ylmethylidene)but-3-enenitrile

Request More Details | (2Z)-3-[2-amino-N-[(2,4-dichlorophenyl)methyl]anilino]-2-(thiophen-2-ylmethylidene)but-3-enenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments