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

Formula:C19H17N2O5Cl 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-chlorobenzamide is a drug-like molecule.

MolName	N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
MolecularFormula	C19H17N2O5Cl
Smiles	OCCNC(/C(/NC(c(cccc1)c1Cl)=O)=C/c(cc1)cc2c1OCO2)=O
InChI	InChI=1S/C19H17ClN2O5/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	XVQHVORUZXWTPB-UHFFFAOYSA-N
TotalMolweight	388.806
Molweight	388.806
MonoisotopicMass	388.0826
CLogP	2.9121
CLogS	-4.606
H Acceptors	7
H Donors	3
TotalSurfaceArea	285.7
Relative PSA	0.28736
PolarSurfaceArea	96.89
Druglikeness	3.4751
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-chlorobenzamide | 2 - N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments