N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]-2-bromobenzamide

Formula:C19H17N2O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]-2-bromobenzamide is a drug-like molecule.

MolName	N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]-2-bromobenzamide
MolecularFormula	C19H17N2O5Br
Smiles	OCCNC(/C(/NC(c(cccc1)c1Br)=O)=C/c(cc1)cc2c1OCO2)=O
InChI	InChI=1S/C19H17BrN2O5/c20-14-4-2-1-3-13(14)18(24)22-15(19(25)21-7-8-23)9-12-5-6-16-17(10-12)27-11-26-16/h1-6,9-10,23H,7-8,11H2,(H,21,25)(H,22,24)
InChIK	HACNDTAHBZAGBX-UHFFFAOYSA-N
TotalMolweight	433.257
Molweight	433.257
MonoisotopicMass	432.032084
CLogP	3.0313
CLogS	-4.704
H Acceptors	7
H Donors	3
TotalSurfaceArea	288.91
Relative PSA	0.28417
PolarSurfaceArea	96.89
Druglikeness	1.6231
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Amides	2
StereoCon

Click to Load Molecule:

1 - N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]-2-bromobenzamide | 2 - N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]-2-bromobenzamide

Request More Details | N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]-2-bromobenzamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments