N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide

Formula:C20H20N4O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
MolecularFormula	C20H20N4O2S
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c1cccs1)NCCCn1cncc1
InChI	InChI=1S/C20H20N4O2S/c25-19(16-6-2-1-3-7-16)23-18(14-17-8-4-13-27-17)20(26)22-9-5-11-24-12-10-21-15-24/h1-4,6-8,10,12-15H,5,9,11H2,(H,22,26)(H,23,25)
InChIK	OMEFQENAHDFVIP-UHFFFAOYSA-N
TotalMolweight	380.471
Molweight	380.471
MonoisotopicMass	380.130696
CLogP	2.6738
CLogS	-3.061
H Acceptors	6
H Donors	2
TotalSurfaceArea	301.09
Relative PSA	0.28961
PolarSurfaceArea	104.26
Druglikeness	7.3964
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	3
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

Click to Load Molecule:

1 - N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide | 2 - N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide

Request More Details | N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments