(E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide

Formula:C23H15N3O2Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
MolecularFormula	C23H15N3O2Cl2S
Smiles	N#C/C(/C(Nc(sc1c2CCCC1)c2C#N)=O)=C\c1ccc(-c2cccc(Cl)c2Cl)o1
InChI	InChI=1S/C23H15Cl2N3O2S/c24-18-6-3-5-16(21(18)25)19-9-8-14(30-19)10-13(11-26)22(29)28-23-17(12-27)15-4-1-2-7-20(15)31-23/h3,5-6,8-10H,1-2,4,7H2,(H,28,29)
InChIK	MDGYLUPNZBTUFQ-UHFFFAOYSA-N
TotalMolweight	468.363
Molweight	468.363
MonoisotopicMass	467.026201
CLogP	6.1878
CLogS	-8.727
H Acceptors	5
H Donors	1
TotalSurfaceArea	348.13
Relative PSA	0.24729
PolarSurfaceArea	118.06
Druglikeness	-4.2575
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
Amides	1
StereoCon

Click to Load Molecule:

1 - (E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide | 2 - (E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide

Request More Details | (E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments