N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-thiophen-2-ylacetamide

Formula:C16H14N2O3S Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-thiophen-2-ylacetamide is a drug-like molecule.

MolName	N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-thiophen-2-ylacetamide
MolecularFormula	C16H14N2O3S
Smiles	O=C(Cc1cccs1)N/N=C\C=C\c(cc1)cc2c1OCO2
InChI	InChI=1S/C16H14N2O3S/c19-16(10-13-4-2-8-22-13)18-17-7-1-3-12-5-6-14-15(9-12)21-11-20-14/h1-9H,10-11H2,(H,18,19)
InChIK	WCORGBAVSQZZRG-UHFFFAOYSA-N
TotalMolweight	314.364
Molweight	314.364
MonoisotopicMass	314.072513
CLogP	3.196
CLogS	-4.699
H Acceptors	5
H Donors	1
TotalSurfaceArea	243.45
Relative PSA	0.3137
PolarSurfaceArea	88.16
Druglikeness	6.0705
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
StereoCon

Click to Load Molecule:

1 - N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-thiophen-2-ylacetamide | 2 - N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-thiophen-2-ylacetamide

Request More Details | N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-thiophen-2-ylacetamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments