2-[[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Formula:C16H14N2OS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile is a drug-like molecule.

MolName	2-[[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
MolecularFormula	C16H14N2OS2
Smiles	N#Cc1c(N/C=C/C(c2cccs2)=O)sc2c1CCCC2
InChI	InChI=1S/C16H14N2OS2/c17-10-12-11-4-1-2-5-14(11)21-16(12)18-8-7-13(19)15-6-3-9-20-15/h3,6-9,18H,1-2,4-5H2
InChIK	RNFSALLPFXOQKQ-UHFFFAOYSA-N
TotalMolweight	314.432
Molweight	314.432
MonoisotopicMass	314.054753
CLogP	3.3897
CLogS	-5.821
H Acceptors	3
H Donors	1
TotalSurfaceArea	243.86
Relative PSA	0.32305
PolarSurfaceArea	109.37
Druglikeness	-5.7735
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	4
StereoCon

Click to Load Molecule:

1 - 2-[[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile | 2 - 2-[[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Request More Details | 2-[[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments