prop-2-ynyl (E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Formula:C20H15NO5 Mutagenic:none Tumorigenic:none Reproductive Effective:high prop-2-ynyl (E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoate is a drug-like molecule.

MolName	prop-2-ynyl (E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoate
MolecularFormula	C20H15NO5
Smiles	C#CCOC(/C(/NC(c1ccccc1)=O)=C\c(cc1)cc2c1OCO2)=O
InChI	InChI=1S/C20H15NO5/c1-2-10-24-20(23)16(21-19(22)15-6-4-3-5-7-15)11-14-8-9-17-18(12-14)26-13-25-17/h1,3-9,11-12H,10,13H2,(H,21,22)
InChIK	QYPZFDFEUWQBDN-UHFFFAOYSA-N
TotalMolweight	349.341
Molweight	349.341
MonoisotopicMass	349.095024
CLogP	3.3279
CLogS	-4.837
H Acceptors	6
H Donors	1
TotalSurfaceArea	272.52
Relative PSA	0.24784
PolarSurfaceArea	73.86
Druglikeness	2.4965
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
Amides	1
StereoCon

Click to Load Molecule:

1 - prop-2-ynyl (E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoate | 2 - prop-2-ynyl (E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Request More Details | prop-2-ynyl (E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments