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

Formula:C20H15N2O6Br Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]-5-bromofuran-2-carboxamide is a drug-like molecule.

MolName	N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]-5-bromofuran-2-carboxamide
MolecularFormula	C20H15N2O6Br
Smiles	O=C(/C(/NC(c(o1)ccc1Br)=O)=C\c(cc1)cc2c1OCO2)NCc1ccco1
InChI	InChI=1S/C20H15BrN2O6/c21-18-6-5-16(29-18)20(25)23-14(19(24)22-10-13-2-1-7-26-13)8-12-3-4-15-17(9-12)28-11-27-15/h1-9H,10-11H2,(H,22,24)(H,23,25)
InChIK	ZKCLTMONQXLACO-UHFFFAOYSA-N
TotalMolweight	459.251
Molweight	459.251
MonoisotopicMass	458.011349
CLogP	3.4446
CLogS	-5.361
H Acceptors	8
H Donors	2
TotalSurfaceArea	307.94
Relative PSA	0.31571
PolarSurfaceArea	102.94
Druglikeness	0.82677
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.44828
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
Amides	2
StereoCon

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

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