N-[(E)-3-anilino-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

Formula:C21H16N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(E)-3-anilino-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is a drug-like molecule.

MolName	N-[(E)-3-anilino-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
MolecularFormula	C21H16N2O5
Smiles	O=C(/C(/NC(c1ccco1)=O)=C\c(cc1)cc2c1OCO2)Nc1ccccc1
InChI	InChI=1S/C21H16N2O5/c24-20(22-15-5-2-1-3-6-15)16(23-21(25)18-7-4-10-26-18)11-14-8-9-17-19(12-14)28-13-27-17/h1-12H,13H2,(H,22,24)(H,23,25)
InChIK	HIFAOLBVHZADKB-UHFFFAOYSA-N
TotalMolweight	376.367
Molweight	376.367
MonoisotopicMass	376.105923
CLogP	3.7239
CLogS	-5.266
H Acceptors	7
H Donors	2
TotalSurfaceArea	285.86
Relative PSA	0.29074
PolarSurfaceArea	89.8
Druglikeness	2.8078
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Amides	2
StereoCon

Click to Load Molecule:

1 - N-[(E)-3-anilino-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide | 2 - N-[(E)-3-anilino-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

Request More Details | N-[(E)-3-anilino-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments